1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

C30H37N3O4 — CID 24790416

IUPAC1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2(CC3CC(c4ccccc4)=NO3)CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C30H37N3O4/c1-36-25-13-11-22(12-14-25)21-31-29(35)30(15-17-33(18-16-30)28(34)24-9-5-6-10-24)20-26-19-27(32-37-26)23-7-3-2-4-8-23/h2-4,7-8,11-14,24,26H,5-6,9-10,15-21H2,1H3,(H,31,35)
InChIKeyVAKPJHSVJVQCDN-UHFFFAOYSA-N
MW503.64 g/mol
LogP4.69
Rot. Bonds8

About 1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 24790416) has the molecular formula C30H37N3O4 and a molecular weight of 503.64 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID24790416
Molecular FormulaC30H37N3O4
Molecular Weight503.64 g/mol
Exact Mass503.28
IUPAC Name1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2(CC3CC(c4ccccc4)=NO3)CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C30H37N3O4/c1-36-25-13-11-22(12-14-25)21-31-29(35)30(15-17-33(18-16-30)28(34)24-9-5-6-10-24)20-26-19-27(32-37-26)23-7-3-2-4-8-23/h2-4,7-8,11-14,24,26H,5-6,9-10,15-21H2,1H3,(H,31,35)
InChIKeyVAKPJHSVJVQCDN-UHFFFAOYSA-N
XLogP4.69
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.64
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3238182
N-(4-methoxybenzyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3236601
trans-2-(5-phenyl-4,5-dihydroisoxazol-3-yl)-N-(4-(trifluoromethoxy)benzyl)cyclopentanecarboxamide
CID 45486800
NR4A modulator SR10658
CID 166635034
N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 23641186
N-(4-methoxybenzyl)-3-(3-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3236325
3-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237831
Tert-butyl 4-[(4-methoxyphenyl)methylcarbamoyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-1-carboxylate
CID 23641180
N-[(4-methoxyphenyl)methyl]-1-(1-methylcyclopropanecarbonyl)-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 23641184
1-[2-(4-fluorophenyl)acetyl]-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 23641185
1-(6-bromohexanoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 23723319
1-(3-hydroxybenzoyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 24747818

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (CID 24790416) is 1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2(CC3CC(c4ccccc4)=NO3)CCN(C(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is VAKPJHSVJVQCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O4/c1-36-25-13-11-22(12-14-25)21-31-29(35)30(15-17-33(18-16-30)28(34)24-9-5-6-10-24)20-26-19-27(32-37-26)23-7-3-2-4-8-23/h2-4,7-8,11-14,24,26H,5-6,9-10,15-21H2,1H3,(H,31,35).
What are the key properties of 1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 503.64 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-[(4-methoxyphenyl)methyl]-4-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24790416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).