(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone

C14H17N3O — CID 82341526

IUPAC(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
SMILESCn1cnc2cc(C(=O)C3CCNCC3)ccc21
InChIInChI=1S/C14H17N3O/c1-17-9-16-12-8-11(2-3-13(12)17)14(18)10-4-6-15-7-5-10/h2-3,8-10,15H,4-7H2,1H3
InChIKeyKTPNSQZAJQALII-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.76
Rot. Bonds2

About (1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone

(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone (PubChem CID 82341526) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
PubChem CID82341526
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone
SMILESCn1cnc2cc(C(=O)C3CCNCC3)ccc21
InChIInChI=1S/C14H17N3O/c1-17-9-16-12-8-11(2-3-13(12)17)14(18)10-4-6-15-7-5-10/h2-3,8-10,15H,4-7H2,1H3
InChIKeyKTPNSQZAJQALII-UHFFFAOYSA-N
XLogP1.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone
CID 82494686
4-[methyl-[4-(1-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
CID 146627100
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide
CID 128877935
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
1-methyl-5-piperidin-4-yloxybenzimidazole
CID 84694843
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
2-(1-methylbenzimidazol-5-yl)-2-oxoacetaldehyde
CID 83530521
2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one
CID 116920419
2,1,3-benzoxadiazol-5-yl(piperidin-4-yl)methanone;hydrochloride
CID 67916351
pyrrolidin-3-yl(quinolin-7-yl)methanone
CID 116568273

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone?
The IUPAC name of (1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone (CID 82341526) is (1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone is Cn1cnc2cc(C(=O)C3CCNCC3)ccc21.
What is the InChIKey of (1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone?
The InChIKey is KTPNSQZAJQALII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-9-16-12-8-11(2-3-13(12)17)14(18)10-4-6-15-7-5-10/h2-3,8-10,15H,4-7H2,1H3.
What are the key properties of (1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone?
(1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone has a molecular weight of 243.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 82341526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).