[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone

C19H26N4O — CID 166603413

IUPAC[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCn1c(N2CCCC(C(=O)N3CCCCC3)C2)nc2ccccc21
InChIInChI=1S/C19H26N4O/c1-21-17-10-4-3-9-16(17)20-19(21)23-13-7-8-15(14-23)18(24)22-11-5-2-6-12-22/h3-4,9-10,15H,2,5-8,11-14H2,1H3
InChIKeyLWDIULMAJGTTEN-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.80
Rot. Bonds2

About [1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone

[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 166603413) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is [1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID166603413
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCn1c(N2CCCC(C(=O)N3CCCCC3)C2)nc2ccccc21
InChIInChI=1S/C19H26N4O/c1-21-17-10-4-3-9-16(17)20-19(21)23-13-7-8-15(14-23)18(24)22-11-5-2-6-12-22/h3-4,9-10,15H,2,5-8,11-14H2,1H3
InChIKeyLWDIULMAJGTTEN-UHFFFAOYSA-N
XLogP2.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 165435392
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
1-[(3R)-3-[4-(1-methylbenzimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97186933
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384
[1-(1-cyclopentylbenzimidazol-2-yl)piperidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 46106644
[(3R)-1-(1-cyclopentylbenzimidazol-2-yl)piperidin-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 93015112
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976019
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
(3R)-1-(1-methylbenzimidazol-2-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 95808037
[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 67099362
3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one
CID 53070305
[(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 66977509

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone (CID 166603413) is [1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone is Cn1c(N2CCCC(C(=O)N3CCCCC3)C2)nc2ccccc21.
What is the InChIKey of [1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is LWDIULMAJGTTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-21-17-10-4-3-9-16(17)20-19(21)23-13-7-8-15(14-23)18(24)22-11-5-2-6-12-22/h3-4,9-10,15H,2,5-8,11-14H2,1H3.
What are the key properties of [1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 326.44 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 166603413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).