N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide

C25H26ClN3O — CID 92767870

IUPACN-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H26ClN3O/c26-23-13-11-22(12-14-23)24(21-9-5-2-6-10-21)28-15-17-29(18-16-28)25(30)27-19-20-7-3-1-4-8-20/h1-14,24H,15-19H2,(H,27,30)/t24-/m1/s1
InChIKeyGJQFKMCUZYDDCW-XMMPIXPASA-N
MW419.96 g/mol
LogP4.96
Rot. Bonds5

About N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide

N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide (PubChem CID 92767870) has the molecular formula C25H26ClN3O and a molecular weight of 419.96 g/mol. Its IUPAC name is N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
PubChem CID92767870
Molecular FormulaC25H26ClN3O
Molecular Weight419.96 g/mol
Exact Mass419.18
IUPAC NameN-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H26ClN3O/c26-23-13-11-22(12-14-23)24(21-9-5-2-6-10-21)28-15-17-29(18-16-28)25(30)27-19-20-7-3-1-4-8-20/h1-14,24H,15-19H2,(H,27,30)/t24-/m1/s1
InChIKeyGJQFKMCUZYDDCW-XMMPIXPASA-N
XLogP4.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazine-1-carboxamide
CID 92768403
4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 86912557
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871
4-[(4-chlorophenyl)-phenylmethyl]-N-cyclopentylpiperazine-1-carboxamide
CID 46100874
4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide
CID 167594860
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705343
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloroanilino)ethanone
CID 23649221
(2R)-1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 92770642
5-[4-[(4-chlorophenyl)-phenylmethyl]-1,4-diazepan-1-yl]-3-methyl-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 24781357
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(2,6-difluorophenyl)methanone
CID 92769078

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide (CID 92767870) is N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide is O=C(NCc1ccccc1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide?
The InChIKey is GJQFKMCUZYDDCW-XMMPIXPASA-N. The full InChI is InChI=1S/C25H26ClN3O/c26-23-13-11-22(12-14-23)24(21-9-5-2-6-10-21)28-15-17-29(18-16-28)25(30)27-19-20-7-3-1-4-8-20/h1-14,24H,15-19H2,(H,27,30)/t24-/m1/s1.
What are the key properties of N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide?
N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide has a molecular weight of 419.96 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carboxamide is sourced from PubChem (CID 92767870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).