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

C23H28ClN3O — CID 43920520

IUPAC[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H28ClN3O/c24-21-10-8-19(9-11-21)17-25-12-4-5-20(18-25)23(28)27-15-13-26(14-16-27)22-6-2-1-3-7-22/h1-3,6-11,20H,4-5,12-18H2
InChIKeyJQSNBBMNUKYISB-UHFFFAOYSA-N
MW397.95 g/mol
LogP3.90
Rot. Bonds4

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

[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 43920520) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID43920520
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H28ClN3O/c24-21-10-8-19(9-11-21)17-25-12-4-5-20(18-25)23(28)27-15-13-26(14-16-27)22-6-2-1-3-7-22/h1-3,6-11,20H,4-5,12-18H2
InChIKeyJQSNBBMNUKYISB-UHFFFAOYSA-N
XLogP3.90
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 43924118
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
(4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone
CID 92851226
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
[1-[(4-chlorophenyl)methylsulfonyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 50810986
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920515
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124803223
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
(3R)-1-[(3R)-1-benzylpiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124778099
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 43920520) is [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(C1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is JQSNBBMNUKYISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c24-21-10-8-19(9-11-21)17-25-12-4-5-20(18-25)23(28)27-15-13-26(14-16-27)22-6-2-1-3-7-22/h1-3,6-11,20H,4-5,12-18H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 397.95 g/mol, XLogP of 3.90, 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-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 43920520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).