[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C23H27Cl2N3O — CID 43924118

IUPAC[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H27Cl2N3O/c24-20-8-6-18(7-9-20)16-26-10-2-3-19(17-26)23(29)28-13-11-27(12-14-28)22-5-1-4-21(25)15-22/h1,4-9,15,19H,2-3,10-14,16-17H2
InChIKeyJIYSGPDOEZGCSG-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.55
Rot. Bonds4

About [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 43924118) has the molecular formula C23H27Cl2N3O and a molecular weight of 432.40 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID43924118
Molecular FormulaC23H27Cl2N3O
Molecular Weight432.40 g/mol
Exact Mass431.15
IUPAC Name[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H27Cl2N3O/c24-20-8-6-18(7-9-20)16-26-10-2-3-19(17-26)23(29)28-13-11-27(12-14-28)22-5-1-4-21(25)15-22/h1,4-9,15,19H,2-3,10-14,16-17H2
InChIKeyJIYSGPDOEZGCSG-UHFFFAOYSA-N
XLogP4.55
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 38104074
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 43926003
(4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone
CID 92851226
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124815112
ethyl 4-[1-[(3-chlorophenyl)methyl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 43920591
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124831134
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 93492097

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 43924118) is [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is O=C(C1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is JIYSGPDOEZGCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O/c24-20-8-6-18(7-9-20)16-26-10-2-3-19(17-26)23(29)28-13-11-27(12-14-28)22-5-1-4-21(25)15-22/h1,4-9,15,19H,2-3,10-14,16-17H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 432.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43924118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).