N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide

C18H24N4O — CID 165434989

IUPACN-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
SMILESCn1c(N2CCC(NC(=O)C3CCC3)CC2)nc2ccccc21
InChIInChI=1S/C18H24N4O/c1-21-16-8-3-2-7-15(16)20-18(21)22-11-9-14(10-12-22)19-17(23)13-5-4-6-13/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,19,23)
InChIKeyIWDJPJFVZZZSJT-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.46
Rot. Bonds3

About N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide

N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 165434989) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
PubChem CID165434989
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
SMILESCn1c(N2CCC(NC(=O)C3CCC3)CC2)nc2ccccc21
InChIInChI=1S/C18H24N4O/c1-21-16-8-3-2-7-15(16)20-18(21)22-11-9-14(10-12-22)19-17(23)13-5-4-6-13/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,19,23)
InChIKeyIWDJPJFVZZZSJT-UHFFFAOYSA-N
XLogP2.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171994514
N-[1-(1-cyclopentylbenzimidazol-2-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 46106770
N-cyclopentyl-2-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]acetamide
CID 171994814
N-cyclopropyl-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 71686625
N-cyclohexyl-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]piperidine-4-carboxamide
CID 46106517
N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide
CID 90040198
N-(1-quinolin-2-ylpiperidin-4-yl)cyclohexanecarboxamide
CID 133276967
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554
N-(1-benzylpiperidin-4-yl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-3-carboxamide
CID 53027910
cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
N-cyclopropyl-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522818
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide (CID 165434989) is N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide is Cn1c(N2CCC(NC(=O)C3CCC3)CC2)nc2ccccc21.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is IWDJPJFVZZZSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-16-8-3-2-7-15(16)20-18(21)22-11-9-14(10-12-22)19-17(23)13-5-4-6-13/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,19,23).
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide?
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 165434989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).