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

C30H36N4O4 — CID 44825579

IUPAC1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide
SMILESO=C(Cc1cccc(NC(=O)C2CCCN(C(=O)C3CC3)C2)c1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C30H36N4O4/c35-27(31-26-11-5-8-23(19-26)30(38)33-14-2-1-3-15-33)18-21-7-4-10-25(17-21)32-28(36)24-9-6-16-34(20-24)29(37)22-12-13-22/h4-5,7-8,10-11,17,19,22,24H,1-3,6,9,12-16,18,20H2,(H,31,35)(H,32,36)
InChIKeyVRFPGPDGSDYXMQ-UHFFFAOYSA-N
MW516.64 g/mol
LogP4.08
Rot. Bonds7

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

1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide (PubChem CID 44825579) has the molecular formula C30H36N4O4 and a molecular weight of 516.64 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide
PubChem CID44825579
Molecular FormulaC30H36N4O4
Molecular Weight516.64 g/mol
Exact Mass516.27
IUPAC Name1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide
SMILESO=C(Cc1cccc(NC(=O)C2CCCN(C(=O)C3CC3)C2)c1)Nc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C30H36N4O4/c35-27(31-26-11-5-8-23(19-26)30(38)33-14-2-1-3-15-33)18-21-7-4-10-25(17-21)32-28(36)24-9-6-16-34(20-24)29(37)22-12-13-22/h4-5,7-8,10-11,17,19,22,24H,1-3,6,9,12-16,18,20H2,(H,31,35)(H,32,36)
InChIKeyVRFPGPDGSDYXMQ-UHFFFAOYSA-N
XLogP4.08
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.64
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide (CID 44825579) is 1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide is O=C(Cc1cccc(NC(=O)C2CCCN(C(=O)C3CC3)C2)c1)Nc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide?
The InChIKey is VRFPGPDGSDYXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O4/c35-27(31-26-11-5-8-23(19-26)30(38)33-14-2-1-3-15-33)18-21-7-4-10-25(17-21)32-28(36)24-9-6-16-34(20-24)29(37)22-12-13-22/h4-5,7-8,10-11,17,19,22,24H,1-3,6,9,12-16,18,20H2,(H,31,35)(H,32,36).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide?
1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide has a molecular weight of 516.64 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[3-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 44825579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).