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

C24H29N5O — CID 67099362

IUPAC[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone
SMILESCn1c(-c2cccc(N3CCC[C@@H](C(=O)N4CCNCC4)C3)c2)nc2ccccc21
InChIInChI=1S/C24H29N5O/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/t19-/m1/s1
InChIKeyLUUDFKBITBVURY-LJQANCHMSA-N
MW403.53 g/mol
LogP2.89
Rot. Bonds3

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

[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone (PubChem CID 67099362) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is [(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone
PubChem CID67099362
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone
SMILESCn1c(-c2cccc(N3CCC[C@@H](C(=O)N4CCNCC4)C3)c2)nc2ccccc21
InChIInChI=1S/C24H29N5O/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/t19-/m1/s1
InChIKeyLUUDFKBITBVURY-LJQANCHMSA-N
XLogP2.89
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 66977509
[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 159462672
[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
2-methoxy-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
CID 59568242
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124815112

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone (CID 67099362) is [(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone is Cn1c(-c2cccc(N3CCC[C@@H](C(=O)N4CCNCC4)C3)c2)nc2ccccc21.
What is the InChIKey of [(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone?
The InChIKey is LUUDFKBITBVURY-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N5O/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/t19-/m1/s1.
What are the key properties of [(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone?
[(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone has a molecular weight of 403.53 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 67099362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).