1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide

C31H38N4O5 — CID 44825665

IUPAC1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
SMILESO=C(Cc1cccc(NC(=O)C2CCN(C(=O)C3CCCC3)CC2)c1)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C31H38N4O5/c36-28(32-27-10-4-8-25(21-27)31(39)35-15-17-40-18-16-35)20-22-5-3-9-26(19-22)33-29(37)23-11-13-34(14-12-23)30(38)24-6-1-2-7-24/h3-5,8-10,19,21,23-24H,1-2,6-7,11-18,20H2,(H,32,36)(H,33,37)
InChIKeyOBRRJIQGSPGQMT-UHFFFAOYSA-N
MW546.67 g/mol
LogP3.71
Rot. Bonds7

About 1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide

1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide (PubChem CID 44825665) has the molecular formula C31H38N4O5 and a molecular weight of 546.67 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
PubChem CID44825665
Molecular FormulaC31H38N4O5
Molecular Weight546.67 g/mol
Exact Mass546.28
IUPAC Name1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
SMILESO=C(Cc1cccc(NC(=O)C2CCN(C(=O)C3CCCC3)CC2)c1)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C31H38N4O5/c36-28(32-27-10-4-8-25(21-27)31(39)35-15-17-40-18-16-35)20-22-5-3-9-26(19-22)33-29(37)23-11-13-34(14-12-23)30(38)24-6-1-2-7-24/h3-5,8-10,19,21,23-24H,1-2,6-7,11-18,20H2,(H,32,36)(H,33,37)
InChIKeyOBRRJIQGSPGQMT-UHFFFAOYSA-N
XLogP3.71
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.67
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide
CID 44825551
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897
1-(cyclopropanecarbonyl)-N-[4-[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825596
N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55649623
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240
1-(cyclopentanecarbonyl)-N-[4-[2-[3-[cyclopentyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825530
1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825633
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
3-amino-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712321
N-[3-(morpholine-4-carbonyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 42628397

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide (CID 44825665) is 1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide is O=C(Cc1cccc(NC(=O)C2CCN(C(=O)C3CCCC3)CC2)c1)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide?
The InChIKey is OBRRJIQGSPGQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O5/c36-28(32-27-10-4-8-25(21-27)31(39)35-15-17-40-18-16-35)20-22-5-3-9-26(19-22)33-29(37)23-11-13-34(14-12-23)30(38)24-6-1-2-7-24/h3-5,8-10,19,21,23-24H,1-2,6-7,11-18,20H2,(H,32,36)(H,33,37).
What are the key properties of 1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide?
1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide has a molecular weight of 546.67 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 44825665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).