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

C19H22ClN3O — CID 851982

IUPAC4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22ClN3O/c20-18-8-6-16(7-9-18)14-21-19(24)23-12-10-22(11-13-23)15-17-4-2-1-3-5-17/h1-9H,10-15H2,(H,21,24)
InChIKeyNYYDXVOEUPUAPL-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.37
Rot. Bonds4

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

4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 851982) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
PubChem CID851982
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H22ClN3O/c20-18-8-6-16(7-9-18)14-21-19(24)23-12-10-22(11-13-23)15-17-4-2-1-3-5-17/h1-9H,10-15H2,(H,21,24)
InChIKeyNYYDXVOEUPUAPL-UHFFFAOYSA-N
XLogP3.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide (CID 851982) is 4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide is O=C(NCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is NYYDXVOEUPUAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-18-8-6-16(7-9-18)14-21-19(24)23-12-10-22(11-13-23)15-17-4-2-1-3-5-17/h1-9H,10-15H2,(H,21,24).
What are the key properties of 4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide?
4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 851982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).