1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide

C23H27N5O — CID 46106507

IUPAC1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SMILESC=CCn1c(N2CCC(C(=O)NCCc3ccccn3)CC2)nc2ccccc21
InChIInChI=1S/C23H27N5O/c1-2-15-28-21-9-4-3-8-20(21)26-23(28)27-16-11-18(12-17-27)22(29)25-14-10-19-7-5-6-13-24-19/h2-9,13,18H,1,10-12,14-17H2,(H,25,29)
InChIKeyDFSHNDWXDLJUKA-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.19
Rot. Bonds7

About 1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide

1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide (PubChem CID 46106507) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
PubChem CID46106507
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SMILESC=CCn1c(N2CCC(C(=O)NCCc3ccccn3)CC2)nc2ccccc21
InChIInChI=1S/C23H27N5O/c1-2-15-28-21-9-4-3-8-20(21)26-23(28)27-16-11-18(12-17-27)22(29)25-14-10-19-7-5-6-13-24-19/h2-9,13,18H,1,10-12,14-17H2,(H,25,29)
InChIKeyDFSHNDWXDLJUKA-UHFFFAOYSA-N
XLogP3.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-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-(3-fluorophenyl)ethyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16669104
N-(3-methoxypropyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675719
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46959605
N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 95808046
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981612
1-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 20883026
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
4-(but-3-enylamino)-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide dichloride
CID 10090644
1-[(E)-3-phenylprop-2-enoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 24644222
1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide
CID 16669306

Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide (CID 46106507) is 1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide is C=CCn1c(N2CCC(C(=O)NCCc3ccccn3)CC2)nc2ccccc21.
What is the InChIKey of 1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is DFSHNDWXDLJUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-2-15-28-21-9-4-3-8-20(21)26-23(28)27-16-11-18(12-17-27)22(29)25-14-10-19-7-5-6-13-24-19/h2-9,13,18H,1,10-12,14-17H2,(H,25,29).
What are the key properties of 1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide?
1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 46106507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).