N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid

C115H149N11O8 — CID 160547963

IUPACN-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid
SMILESCCCC#Cc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)N4CCC(O)CC4)cc3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)O)cc3)cc2)C2CCN(CCC(C)C)CC2)nc1
InChIInChI=1S/C40H50N4O3.C40H54N4O2.C35H45N3O3/c1-4-5-6-7-31-10-17-38(41-28-31)40(47)44(36-19-24-42(25-20-36)23-18-30(2)3)29-32-8-11-33(12-9-32)34-13-15-35(16-14-34)39(46)43-26-21-37(45)22-27-43;1-4-5-7-10-32-13-20-38(41-29-32)40(46)44(37-22-27-42(28-23-37)26-21-31(2)3)30-33-11-14-34(15-12-33)35-16-18-36(19-17-35)39(45)43-24-8-6-9-25-43;1-4-5-6-7-27-10-17-33(36-24-27)34(39)38(32-19-22-37(23-20-32)21-18-26(2)3)25-28-8-11-29(12-9-28)30-13-15-31(16-14-30)35(40)41/h8-17,28,30,36-37,45H,4-5,18-27,29H2,1-3H3;11-20,29,31,37H,4-10,21-28,30H2,1-3H3;8-17,24,26,32H,4-7,18-23,25H2,1-3H3,(H,40,41)
InChIKeyQXRIGRLIWOYJAM-UHFFFAOYSA-N
MW1813.53 g/mol
LogP22.24
Rot. Bonds36

About N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid

N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid (PubChem CID 160547963) has the molecular formula C115H149N11O8 and a molecular weight of 1813.53 g/mol. Its IUPAC name is N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid.

Molecular Properties

Compound NameN-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid
PubChem CID160547963
Molecular FormulaC115H149N11O8
Molecular Weight1813.53 g/mol
Exact Mass1812.16
IUPAC NameN-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid
SMILESCCCC#Cc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)N4CCC(O)CC4)cc3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)O)cc3)cc2)C2CCN(CCC(C)C)CC2)nc1
InChIInChI=1S/C40H50N4O3.C40H54N4O2.C35H45N3O3/c1-4-5-6-7-31-10-17-38(41-28-31)40(47)44(36-19-24-42(25-20-36)23-18-30(2)3)29-32-8-11-33(12-9-32)34-13-15-35(16-14-34)39(46)43-26-21-37(45)22-27-43;1-4-5-7-10-32-13-20-38(41-29-32)40(46)44(37-22-27-42(28-23-37)26-21-31(2)3)30-33-11-14-34(15-12-33)35-16-18-36(19-17-35)39(45)43-24-8-6-9-25-43;1-4-5-6-7-27-10-17-33(36-24-27)34(39)38(32-19-22-37(23-20-32)21-18-26(2)3)25-28-8-11-29(12-9-28)30-13-15-31(16-14-30)35(40)41/h8-17,28,30,36-37,45H,4-5,18-27,29H2,1-3H3;11-20,29,31,37H,4-10,21-28,30H2,1-3H3;8-17,24,26,32H,4-7,18-23,25H2,1-3H3,(H,40,41)
InChIKeyQXRIGRLIWOYJAM-UHFFFAOYSA-N
XLogP22.24
TPSA207.47 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds36
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001813.53
LogP ≤ 522.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid?
The IUPAC name of N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid (CID 160547963) is N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid.
What is the SMILES notation for N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid?
The canonical SMILES for N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid is CCCC#Cc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)N4CCC(O)CC4)cc3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2)C2CCN(CCC(C)C)CC2)nc1.CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)O)cc3)cc2)C2CCN(CCC(C)C)CC2)nc1.
What is the InChIKey of N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid?
The InChIKey is QXRIGRLIWOYJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H50N4O3.C40H54N4O2.C35H45N3O3/c1-4-5-6-7-31-10-17-38(41-28-31)40(47)44(36-19-24-42(25-20-36)23-18-30(2)3)29-32-8-11-33(12-9-32)34-13-15-35(16-14-34)39(46)43-26-21-37(45)22-27-43;1-4-5-7-10-32-13-20-38(41-29-32)40(46)44(37-22-27-42(28-23-37)26-21-31(2)3)30-33-11-14-34(15-12-33)35-16-18-36(19-17-35)39(45)43-24-8-6-9-25-43;1-4-5-6-7-27-10-17-33(36-24-27)34(39)38(32-19-22-37(23-20-32)21-18-26(2)3)25-28-8-11-29(12-9-28)30-13-15-31(16-14-30)35(40)41/h8-17,28,30,36-37,45H,4-5,18-27,29H2,1-3H3;11-20,29,31,37H,4-10,21-28,30H2,1-3H3;8-17,24,26,32H,4-7,18-23,25H2,1-3H3,(H,40,41).
What are the key properties of N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid?
N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid has a molecular weight of 1813.53 g/mol, XLogP of 22.24, 36 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pent-1-ynylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]pyridine-2-carboxamide;4-[4-[[[1-(3-methylbutyl)piperidin-4-yl]-(5-pentylpyridine-2-carbonyl)amino]methyl]phenyl]benzoic acid is sourced from PubChem (CID 160547963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).