N-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide

C36H47N3O2S — CID 59688900

IUPACN-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2)C2CCN(CC)CC2)s1
InChIInChI=1S/C36H47N3O2S/c1-3-5-7-10-33-19-20-34(42-33)36(41)39(32-21-25-37(4-2)26-22-32)27-28-11-13-29(14-12-28)30-15-17-31(18-16-30)35(40)38-23-8-6-9-24-38/h11-20,32H,3-10,21-27H2,1-2H3
InChIKeyUWMCNJMYESKBHC-UHFFFAOYSA-N
MW585.86 g/mol
LogP7.90
Rot. Bonds11

About N-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide

N-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 59688900) has the molecular formula C36H47N3O2S and a molecular weight of 585.86 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID59688900
Molecular FormulaC36H47N3O2S
Molecular Weight585.86 g/mol
Exact Mass585.34
IUPAC NameN-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2)C2CCN(CC)CC2)s1
InChIInChI=1S/C36H47N3O2S/c1-3-5-7-10-33-19-20-34(42-33)36(41)39(32-21-25-37(4-2)26-22-32)27-28-11-13-29(14-12-28)30-15-17-31(18-16-30)35(40)38-23-8-6-9-24-38/h11-20,32H,3-10,21-27H2,1-2H3
InChIKeyUWMCNJMYESKBHC-UHFFFAOYSA-N
XLogP7.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.86
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide
CID 11685968
N-[[4-[4-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylthiophene-2-carboxamide
CID 11542194
4-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 102452261
5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide
CID 143233487
N-(1-benzylazepan-4-yl)-4-pentyl-N-[(4-phenylphenyl)methyl]benzamide
CID 10187349
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
N-(1-benzylpiperidin-4-yl)-4-pentyl-N-[(4-thiophen-2-ylphenyl)methyl]benzamide
CID 10230477
[4-[4-[2-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethyl]phenyl]phenyl]-pyrrolidin-1-ylmethanone
CID 146229020
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55746666
4-pentyl-N-[(4-phenylphenyl)methyl]-N-[[1-(3-phenylpropyl)piperidin-4-yl]methyl]benzamide
CID 11757800
5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 43043492
[1-[1-(4-hexylbenzoyl)piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42881294

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide (CID 59688900) is N-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide is CCCCCc1ccc(C(=O)N(Cc2ccc(-c3ccc(C(=O)N4CCCCC4)cc3)cc2)C2CCN(CC)CC2)s1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is UWMCNJMYESKBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47N3O2S/c1-3-5-7-10-33-19-20-34(42-33)36(41)39(32-21-25-37(4-2)26-22-32)27-28-11-13-29(14-12-28)30-15-17-31(18-16-30)35(40)38-23-8-6-9-24-38/h11-20,32H,3-10,21-27H2,1-2H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide?
N-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 585.86 g/mol, XLogP of 7.90, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-5-pentyl-N-[[4-[4-(piperidine-1-carbonyl)phenyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 59688900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).