N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide

C32H40N4O4 — CID 171625954

IUPACN-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide
SMILESCC(C)C(=O)N1C(C)CN(Cc2ccccc2N2CCOCC2)CC1C(=O)NCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C32H40N4O4/c1-23(2)32(38)36-24(3)20-34(21-27-7-4-5-8-28(27)35-14-17-39-18-15-35)22-29(36)31(37)33-19-25-10-12-26(13-11-25)30-9-6-16-40-30/h4-13,16,23-24,29H,14-15,17-22H2,1-3H3,(H,33,37)
InChIKeyUAOOHGMDKPNZJS-UHFFFAOYSA-N
MW544.70 g/mol
LogP4.16
Rot. Bonds8

About N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide

N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide (PubChem CID 171625954) has the molecular formula C32H40N4O4 and a molecular weight of 544.70 g/mol. Its IUPAC name is N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide
PubChem CID171625954
Molecular FormulaC32H40N4O4
Molecular Weight544.70 g/mol
Exact Mass544.30
IUPAC NameN-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide
SMILESCC(C)C(=O)N1C(C)CN(Cc2ccccc2N2CCOCC2)CC1C(=O)NCc1ccc(-c2ccco2)cc1
InChIInChI=1S/C32H40N4O4/c1-23(2)32(38)36-24(3)20-34(21-27-7-4-5-8-28(27)35-14-17-39-18-15-35)22-29(36)31(37)33-19-25-10-12-26(13-11-25)30-9-6-16-40-30/h4-13,16,23-24,29H,14-15,17-22H2,1-3H3,(H,33,37)
InChIKeyUAOOHGMDKPNZJS-UHFFFAOYSA-N
XLogP4.16
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.70
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 174245391
N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-(pyrimidin-2-ylmethyl)piperazine-2-carboxamide
CID 171625939
N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-pyrimidin-5-ylphenyl)methyl]piperazine-2-carboxamide
CID 171626260
4-[(2-bromo-6-fluorophenyl)methyl]-N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 171625796
4-(benzenesulfonyl)-N-[[3,5-difluoro-4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 170345893
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
N-[[4-(furan-2-yl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide
CID 146142207
4-[[4-[4-(furan-2-yl)benzoyl]-3,5-dimethylpiperazin-1-yl]methyl]-N-hydroxybenzamide
CID 135269495
2-methyl-1-[(2-morpholin-4-ylphenyl)methyl]-3-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111411580
3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
CID 51096915
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
CID 167847529

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide?
The IUPAC name of N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide (CID 171625954) is N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide?
The canonical SMILES for N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide is CC(C)C(=O)N1C(C)CN(Cc2ccccc2N2CCOCC2)CC1C(=O)NCc1ccc(-c2ccco2)cc1.
What is the InChIKey of N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide?
The InChIKey is UAOOHGMDKPNZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O4/c1-23(2)32(38)36-24(3)20-34(21-27-7-4-5-8-28(27)35-14-17-39-18-15-35)22-29(36)31(37)33-19-25-10-12-26(13-11-25)30-9-6-16-40-30/h4-13,16,23-24,29H,14-15,17-22H2,1-3H3,(H,33,37).
What are the key properties of N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide?
N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide has a molecular weight of 544.70 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-yl)phenyl]methyl]-6-methyl-1-(2-methylpropanoyl)-4-[(2-morpholin-4-ylphenyl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 171625954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).