N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide

C24H29FN4O — CID 53107081

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1
InChIInChI=1S/C24H29FN4O/c25-22-10-4-8-19(14-22)21-15-27-24(28-16-21)29-13-5-9-20(17-29)23(30)26-12-11-18-6-2-1-3-7-18/h4,6,8,10,14-16,20H,1-3,5,7,9,11-13,17H2,(H,26,30)
InChIKeySDGVMKVXTALJCP-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.51
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide (PubChem CID 53107081) has the molecular formula C24H29FN4O and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
PubChem CID53107081
Molecular FormulaC24H29FN4O
Molecular Weight408.52 g/mol
Exact Mass408.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1
InChIInChI=1S/C24H29FN4O/c25-22-10-4-8-19(14-22)21-15-27-24(28-16-21)29-13-5-9-20(17-29)23(30)26-12-11-18-6-2-1-3-7-18/h4,6,8,10,14-16,20H,1-3,5,7,9,11-13,17H2,(H,26,30)
InChIKeySDGVMKVXTALJCP-UHFFFAOYSA-N
XLogP4.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]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

Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(4-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 53010279
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(4-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 93070717
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(4-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 93070718
(3R)-N-[2-(azepan-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085821
(3S)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(3-methylbutyl)piperidine-3-carboxamide
CID 95085693
N-butyl-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 53107070
1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53107131
(3R)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-phenylpiperidine-3-carboxamide
CID 95085728
(3R)-N-[3-(dipropylamino)propyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085750
N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025322
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[6-(3-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055908
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 95100843

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide (CID 53107081) is N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CCCN(c2ncc(-c3cccc(F)c3)cn2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide?
The InChIKey is SDGVMKVXTALJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O/c25-22-10-4-8-19(14-22)21-15-27-24(28-16-21)29-13-5-9-20(17-29)23(30)26-12-11-18-6-2-1-3-7-18/h4,6,8,10,14-16,20H,1-3,5,7,9,11-13,17H2,(H,26,30).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 53107081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).