(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide

C18H24N4O2 — CID 51494599

IUPAC(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESC=COCCNC(=O)[C@H]1CCCN(c2nc3ccccc3n2C)C1
InChIInChI=1S/C18H24N4O2/c1-3-24-12-10-19-17(23)14-7-6-11-22(13-14)18-20-15-8-4-5-9-16(15)21(18)2/h3-5,8-9,14H,1,6-7,10-13H2,2H3,(H,19,23)/t14-/m0/s1
InChIKeyAGXPIQBCOBKDKZ-AWEZNQCLSA-N
MW328.42 g/mol
LogP2.07
Rot. Bonds6

About (3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide

(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide (PubChem CID 51494599) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
PubChem CID51494599
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
SMILESC=COCCNC(=O)[C@H]1CCCN(c2nc3ccccc3n2C)C1
InChIInChI=1S/C18H24N4O2/c1-3-24-12-10-19-17(23)14-7-6-11-22(13-14)18-20-15-8-4-5-9-16(15)21(18)2/h3-5,8-9,14H,1,6-7,10-13H2,2H3,(H,19,23)/t14-/m0/s1
InChIKeyAGXPIQBCOBKDKZ-AWEZNQCLSA-N
XLogP2.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethenoxyethyl)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 43817815
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384
(3S)-N-(2-methoxyethyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 93015076
(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-methoxypropyl)-1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46106619
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93015049
N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46959580
1-(1-methylbenzimidazol-2-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 126470752
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate
CID 51494618
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide (CID 51494599) is (3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide is C=COCCNC(=O)[C@H]1CCCN(c2nc3ccccc3n2C)C1.
What is the InChIKey of (3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
The InChIKey is AGXPIQBCOBKDKZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-24-12-10-19-17(23)14-7-6-11-22(13-14)18-20-15-8-4-5-9-16(15)21(18)2/h3-5,8-9,14H,1,6-7,10-13H2,2H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide?
(3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-ethenoxyethyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51494599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).