4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide

C19H21Cl2N3O — CID 52933307

IUPAC4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21Cl2N3O/c20-17-7-6-16(12-18(17)21)13-22-19(25)24-10-8-23(9-11-24)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,22,25)
InChIKeyPKNNHTZUZXGNBI-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.02
Rot. Bonds4

About 4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide

4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 52933307) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
PubChem CID52933307
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21Cl2N3O/c20-17-7-6-16(12-18(17)21)13-22-19(25)24-10-8-23(9-11-24)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,22,25)
InChIKeyPKNNHTZUZXGNBI-UHFFFAOYSA-N
XLogP4.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide (CID 52933307) is 4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is PKNNHTZUZXGNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c20-17-7-6-16(12-18(17)21)13-22-19(25)24-10-8-23(9-11-24)14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,22,25).
What are the key properties of 4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide?
4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 378.30 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 52933307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).