4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide

C23H28ClN3O — CID 46100874

IUPAC4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28ClN3O/c24-20-12-10-19(11-13-20)22(18-6-2-1-3-7-18)26-14-16-27(17-15-26)23(28)25-21-8-4-5-9-21/h1-3,6-7,10-13,21-22H,4-5,8-9,14-17H2,(H,25,28)
InChIKeyUFMCCXBCCVGNNZ-UHFFFAOYSA-N
MW397.95 g/mol
LogP4.70
Rot. Bonds4

About 4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide

4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide (PubChem CID 46100874) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide
PubChem CID46100874
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H28ClN3O/c24-20-12-10-19(11-13-20)22(18-6-2-1-3-7-18)26-14-16-27(17-15-26)23(28)25-21-8-4-5-9-21/h1-3,6-7,10-13,21-22H,4-5,8-9,14-17H2,(H,25,28)
InChIKeyUFMCCXBCCVGNNZ-UHFFFAOYSA-N
XLogP4.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[(4-chlorophenyl)-phenylmethyl]-1,4-diazepan-1-yl]-N-cyclohexyl-4-oxobutanamide
CID 46229304
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92767870
N-cyclohexyl-4-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperazine-1-carboxamide
CID 112818881
N-cyclopentyl-4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 38206268
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705343
N-[(4-chlorophenyl)methyl]-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768403
4-[[(4-chlorophenyl)-pyridin-3-ylmethyl]amino]-N-cyclohexylpiperidine-1-carboxamide
CID 56682756
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 92769078
4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide
CID 92768972
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloroanilino)ethanone
CID 23649221

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide (CID 46100874) is 4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide is O=C(NC1CCCC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide?
The InChIKey is UFMCCXBCCVGNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O/c24-20-12-10-19(11-13-20)22(18-6-2-1-3-7-18)26-14-16-27(17-15-26)23(28)25-21-8-4-5-9-21/h1-3,6-7,10-13,21-22H,4-5,8-9,14-17H2,(H,25,28).
What are the key properties of 4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide?
4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide has a molecular weight of 397.95 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide is sourced from PubChem (CID 46100874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).