(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide

C17H22N4O — CID 95849384

IUPAC(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n2C)C1
InChIInChI=1S/C17H22N4O/c1-3-10-18-16(22)13-7-6-11-21(12-13)17-19-14-8-4-5-9-15(14)20(17)2/h3-5,8-9,13H,1,6-7,10-12H2,2H3,(H,18,22)/t13-/m1/s1
InChIKeyUHURNFRTHMHXEJ-CYBMUJFWSA-N
MW298.39 g/mol
LogP2.09
Rot. Bonds4

About (3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide

(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 95849384) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is (3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID95849384
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n2C)C1
InChIInChI=1S/C17H22N4O/c1-3-10-18-16(22)13-7-6-11-21(12-13)17-19-14-8-4-5-9-15(14)20(17)2/h3-5,8-9,13H,1,6-7,10-12H2,2H3,(H,18,22)/t13-/m1/s1
InChIKeyUHURNFRTHMHXEJ-CYBMUJFWSA-N
XLogP2.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51494599
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747
N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46959580
N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 43817815
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
1-(1-methylbenzimidazol-2-yl)-N-(4-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 16669340
(3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 95808037
1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 126470752
methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate
CID 51494618
(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93016426

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide (CID 95849384) is (3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)[C@@H]1CCCN(c2nc3ccccc3n2C)C1.
What is the InChIKey of (3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is UHURNFRTHMHXEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O/c1-3-10-18-16(22)13-7-6-11-21(12-13)17-19-14-8-4-5-9-15(14)20(17)2/h3-5,8-9,13H,1,6-7,10-12H2,2H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide?
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 95849384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).