[(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride

C24H30ClN5O — CID 66977509

IUPAC[(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.Cn1c(-c2cccc(N3CCC[C@H](C(=O)N4CCNCC4)C3)c2)nc2ccccc21
InChIInChI=1S/C24H29N5O.ClH/c1-27-22-10-3-2-9-21(22)26-23(27)18-6-4-8-20(16-18)29-13-5-7-19(17-29)24(30)28-14-11-25-12-15-28;/h2-4,6,8-10,16,19,25H,5,7,11-15,17H2,1H3;1H/t19-;/m0./s1
InChIKeyJJWWAWCSEXOFQD-FYZYNONXSA-N
MW439.99 g/mol
LogP3.31
Rot. Bonds3

About [(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride

[(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 66977509) has the molecular formula C24H30ClN5O and a molecular weight of 439.99 g/mol. Its IUPAC name is [(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID66977509
Molecular FormulaC24H30ClN5O
Molecular Weight439.99 g/mol
Exact Mass439.21
IUPAC Name[(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.Cn1c(-c2cccc(N3CCC[C@H](C(=O)N4CCNCC4)C3)c2)nc2ccccc21
InChIInChI=1S/C24H29N5O.ClH/c1-27-22-10-3-2-9-21(22)26-23(27)18-6-4-8-20(16-18)29-13-5-7-19(17-29)24(30)28-14-11-25-12-15-28;/h2-4,6,8-10,16,19,25H,5,7,11-15,17H2,1H3;1H/t19-;/m0./s1
InChIKeyJJWWAWCSEXOFQD-FYZYNONXSA-N
XLogP3.31
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride with MolForge

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Related Compounds

[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 159462672
[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 67099362
[3-(dimethylamino)pyrrolidin-1-yl]-[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]methanone;formic acid
CID 159968849
tert-butyl (3R)-3-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylate
CID 59568263
1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole
CID 59568337
[4-[3-(1-methylbenzimidazol-2-yl)phenyl]-1,4-diazepan-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 59568257
(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 67099408
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
3-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-1-methylquinoxalin-2-one
CID 53070305
2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one
CID 59568379
[1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-(1,4-diazepan-1-yl)methanone;[1-[4-chloro-3-(3H-indol-2-yl)phenyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone;[1-[4-fluoro-3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 160932522
2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
CID 59568242

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride (CID 66977509) is [(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride is Cl.Cn1c(-c2cccc(N3CCC[C@H](C(=O)N4CCNCC4)C3)c2)nc2ccccc21.
What is the InChIKey of [(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is JJWWAWCSEXOFQD-FYZYNONXSA-N. The full InChI is InChI=1S/C24H29N5O.ClH/c1-27-22-10-3-2-9-21(22)26-23(27)18-6-4-8-20(16-18)29-13-5-7-19(17-29)24(30)28-14-11-25-12-15-28;/h2-4,6,8-10,16,19,25H,5,7,11-15,17H2,1H3;1H/t19-;/m0./s1.
What are the key properties of [(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
[(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 439.99 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 66977509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).