(2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

C21H28N6O — CID 97456362

IUPAC(2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESCCCn1cnc2cc(NC(=O)N3CCCC[C@H]3CCn3cccn3)ccc21
InChIInChI=1S/C21H28N6O/c1-2-11-25-16-22-19-15-17(7-8-20(19)25)24-21(28)27-13-4-3-6-18(27)9-14-26-12-5-10-23-26/h5,7-8,10,12,15-16,18H,2-4,6,9,11,13-14H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyVPNGQHFVAKUJQT-SFHVURJKSA-N
MW380.50 g/mol
LogP4.12
Rot. Bonds6

About (2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

(2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 97456362) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is (2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
PubChem CID97456362
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name(2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESCCCn1cnc2cc(NC(=O)N3CCCC[C@H]3CCn3cccn3)ccc21
InChIInChI=1S/C21H28N6O/c1-2-11-25-16-22-19-15-17(7-8-20(19)25)24-21(28)27-13-4-3-6-18(27)9-14-26-12-5-10-23-26/h5,7-8,10,12,15-16,18H,2-4,6,9,11,13-14H2,1H3,(H,24,28)/t18-/m0/s1
InChIKeyVPNGQHFVAKUJQT-SFHVURJKSA-N
XLogP4.12
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 72936728
N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 56887203
N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118795948
(2R)-2-(2-pyrazol-1-ylethyl)-N-[3-(1,2,4-triazol-1-yl)phenyl]piperidine-1-carboxamide
CID 97434742
(2R)-N-(1H-indol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 125171803
(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126423251
(2S)-N-(3-oxo-1H-2-benzofuran-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97453580
(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 95714167
N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118793180
(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126439146
(1-methyl-3-propylpyrazol-5-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 96579491
(2R)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97281204

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (CID 97456362) is (2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is CCCn1cnc2cc(NC(=O)N3CCCC[C@H]3CCn3cccn3)ccc21.
What is the InChIKey of (2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is VPNGQHFVAKUJQT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N6O/c1-2-11-25-16-22-19-15-17(7-8-20(19)25)24-21(28)27-13-4-3-6-18(27)9-14-26-12-5-10-23-26/h5,7-8,10,12,15-16,18H,2-4,6,9,11,13-14H2,1H3,(H,24,28)/t18-/m0/s1.
What are the key properties of (2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
(2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97456362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).