1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide

C33H42N4O4 — CID 44825539

IUPAC1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CCCN(C(=O)C3CCCCC3)C2)cc1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C33H42N4O4/c38-30(34-29-13-7-11-26(22-29)33(41)36-18-5-2-6-19-36)21-24-14-16-28(17-15-24)35-31(39)27-12-8-20-37(23-27)32(40)25-9-3-1-4-10-25/h7,11,13-17,22,25,27H,1-6,8-10,12,18-21,23H2,(H,34,38)(H,35,39)
InChIKeyQZKQACRHIYAUPU-UHFFFAOYSA-N
MW558.72 g/mol
LogP5.25
Rot. Bonds7

About 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide

1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide (PubChem CID 44825539) has the molecular formula C33H42N4O4 and a molecular weight of 558.72 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide
PubChem CID44825539
Molecular FormulaC33H42N4O4
Molecular Weight558.72 g/mol
Exact Mass558.32
IUPAC Name1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide
SMILESO=C(Cc1ccc(NC(=O)C2CCCN(C(=O)C3CCCCC3)C2)cc1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C33H42N4O4/c38-30(34-29-13-7-11-26(22-29)33(41)36-18-5-2-6-19-36)21-24-14-16-28(17-15-24)35-31(39)27-12-8-20-37(23-27)32(40)25-9-3-1-4-10-25/h7,11,13-17,22,25,27H,1-6,8-10,12,18-21,23H2,(H,34,38)(H,35,39)
InChIKeyQZKQACRHIYAUPU-UHFFFAOYSA-N
XLogP5.25
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.72
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide (CID 44825539) is 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide is O=C(Cc1ccc(NC(=O)C2CCCN(C(=O)C3CCCCC3)C2)cc1)Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide?
The InChIKey is QZKQACRHIYAUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N4O4/c38-30(34-29-13-7-11-26(22-29)33(41)36-18-5-2-6-19-36)21-24-14-16-28(17-15-24)35-31(39)27-12-8-20-37(23-27)32(40)25-9-3-1-4-10-25/h7,11,13-17,22,25,27H,1-6,8-10,12,18-21,23H2,(H,34,38)(H,35,39).
What are the key properties of 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide?
1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide has a molecular weight of 558.72 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 44825539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).