4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide

C20H26N4O — CID 108894755

IUPAC4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-22(2)19-10-8-18(9-11-19)21-20(25)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3,(H,21,25)
InChIKeyFHRRSOHVNPWLSR-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.10
Rot. Bonds4

About 4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide

4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide (PubChem CID 108894755) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
PubChem CID108894755
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-22(2)19-10-8-18(9-11-19)21-20(25)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3,(H,21,25)
InChIKeyFHRRSOHVNPWLSR-UHFFFAOYSA-N
XLogP3.10
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
N-[4-(dimethylamino)phenyl]-4-ethylpiperazine-1-carboxamide
CID 108894833
methyl 4-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 47039900
4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894759
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 140895054
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 90316616
N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109409
1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone
CID 30981259
4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892
N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110145
N-(4-chlorophenyl)-4-[(3-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293524
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide (CID 108894755) is 4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide is CN(C)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide?
The InChIKey is FHRRSOHVNPWLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-22(2)19-10-8-18(9-11-19)21-20(25)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3,(H,21,25).
What are the key properties of 4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide?
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 108894755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).