[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

C24H28ClN5O — CID 67099298

IUPAC[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)[C@@H]2CCCN(c3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)C2)CC1
InChIInChI=1S/C24H28ClN5O/c1-28-11-13-29(14-12-28)24(31)17-5-4-10-30(16-17)18-8-9-20(25)19(15-18)23-26-21-6-2-3-7-22(21)27-23/h2-3,6-9,15,17H,4-5,10-14,16H2,1H3,(H,26,27)/t17-/m1/s1
InChIKeyKNPAPEHNIWKTRQ-QGZVFWFLSA-N
MW437.98 g/mol
LogP3.87
Rot. Bonds3

About [(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 67099298) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is [(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID67099298
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)[C@@H]2CCCN(c3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)C2)CC1
InChIInChI=1S/C24H28ClN5O/c1-28-11-13-29(14-12-28)24(31)17-5-4-10-30(16-17)18-8-9-20(25)19(15-18)23-26-21-6-2-3-7-22(21)27-23/h2-3,6-9,15,17H,4-5,10-14,16H2,1H3,(H,26,27)/t17-/m1/s1
InChIKeyKNPAPEHNIWKTRQ-QGZVFWFLSA-N
XLogP3.87
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 67099396
azetidin-3-yl-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepan-1-yl]methanone
CID 59568258
1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-N-[3-(dimethylamino)propyl]-N-methylpiperidine-3-carboxamide
CID 77225710
[1-[4-chloro-3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 66977599
[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepan-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 59568281
2-[2-chloro-5-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]phenyl]-1H-benzimidazole
CID 141305852
[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-[2-chloro-5-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]phenyl]-1H-benzimidazole
CID 59568353
(3R)-1-[4-chloro-3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]piperidine-3-carboxylic acid;hydrochloride
CID 66977468
tert-butyl (2S)-2-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,4-diazepane-1-carbonyl]azetidine-1-carboxylate
CID 59568356
2-(azetidin-1-yl)-1-[4-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperazin-1-yl]ethanone
CID 59568272
1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-4-one;ethane
CID 143816258

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 67099298) is [(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)[C@@H]2CCCN(c3ccc(Cl)c(-c4nc5ccccc5[nH]4)c3)C2)CC1.
What is the InChIKey of [(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is KNPAPEHNIWKTRQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-28-11-13-29(14-12-28)24(31)17-5-4-10-30(16-17)18-8-9-20(25)19(15-18)23-26-21-6-2-3-7-22(21)27-23/h2-3,6-9,15,17H,4-5,10-14,16H2,1H3,(H,26,27)/t17-/m1/s1.
What are the key properties of [(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 437.98 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 67099298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).