N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide

C23H33N5O — CID 46959605

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESC=CCn1c(N2CCC(C(=O)NCC3CCCN3CC)CC2)nc2ccccc21
InChIInChI=1S/C23H33N5O/c1-3-13-28-21-10-6-5-9-20(21)25-23(28)27-15-11-18(12-16-27)22(29)24-17-19-8-7-14-26(19)4-2/h3,5-6,9-10,18-19H,1,4,7-8,11-17H2,2H3,(H,24,29)
InChIKeyRGWJDQDNWMDRMW-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.04
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide (PubChem CID 46959605) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
PubChem CID46959605
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
SMILESC=CCn1c(N2CCC(C(=O)NCC3CCCN3CC)CC2)nc2ccccc21
InChIInChI=1S/C23H33N5O/c1-3-13-28-21-10-6-5-9-20(21)25-23(28)27-15-11-18(12-16-27)22(29)24-17-19-8-7-14-26(19)4-2/h3,5-6,9-10,18-19H,1,4,7-8,11-17H2,2H3,(H,24,29)
InChIKeyRGWJDQDNWMDRMW-UHFFFAOYSA-N
XLogP3.04
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)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-(3-methoxypropyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675719
1-(1-prop-2-enylbenzimidazol-2-yl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 46106507
(3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]piperidine-3-carboxamide
CID 129424334
N-(5-fluoro-2-methylphenyl)-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 95808046
N-[2-(3-fluorophenyl)ethyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16669104
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 40900290
N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 43817815
1-(1-ethylbenzimidazol-2-yl)-N-(4-hydroxybutyl)piperidine-4-carboxamide
CID 16669306
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 76859310
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 6620028
N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 46106595
1-[1-(2-methoxyethyl)benzimidazol-2-yl]-N-(2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 42880181

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide (CID 46959605) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide is C=CCn1c(N2CCC(C(=O)NCC3CCCN3CC)CC2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide?
The InChIKey is RGWJDQDNWMDRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-3-13-28-21-10-6-5-9-20(21)25-23(28)27-15-11-18(12-16-27)22(29)24-17-19-8-7-14-26(19)4-2/h3,5-6,9-10,18-19H,1,4,7-8,11-17H2,2H3,(H,24,29).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-prop-2-enylbenzimidazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46959605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).