N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

C18H23N5O2 — CID 47044809

IUPACN-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C18H23N5O2/c24-16(21-17-19-14-7-1-2-8-15(14)20-17)13-6-5-11-23(12-13)18(25)22-9-3-4-10-22/h1-2,7-8,13H,3-6,9-12H2,(H2,19,20,21,24)
InChIKeyMMBPJWCPGLMRHV-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.43
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (PubChem CID 47044809) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
PubChem CID47044809
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C18H23N5O2/c24-16(21-17-19-14-7-1-2-8-15(14)20-17)13-6-5-11-23(12-13)18(25)22-9-3-4-10-22/h1-2,7-8,13H,3-6,9-12H2,(H2,19,20,21,24)
InChIKeyMMBPJWCPGLMRHV-UHFFFAOYSA-N
XLogP2.43
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(1H-benzimidazol-2-yl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907658
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261485
N-(1H-benzimidazol-2-yl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071277
(3R)-N-(1H-benzimidazol-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40633944
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
N-(1H-benzimidazol-2-yl)-1-(methylsulfamoyl)piperidine-4-carboxamide
CID 146124527
(1H-benzimidazol-2-ylamino) piperidine-1-carboxylate
CID 22711771
N-(1H-benzimidazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 18089285
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568027
1-prop-2-enoyl-N'-(3-sulfanylidene-4H-quinoxalin-2-yl)piperidine-3-carbohydrazide
CID 166287455

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide (CID 47044809) is N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is O=C(Nc1nc2ccccc2[nH]1)C1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is MMBPJWCPGLMRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-16(21-17-19-14-7-1-2-8-15(14)20-17)13-6-5-11-23(12-13)18(25)22-9-3-4-10-22/h1-2,7-8,13H,3-6,9-12H2,(H2,19,20,21,24).
What are the key properties of N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide?
N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 47044809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).