N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide

C23H31N3O — CID 10618862

IUPACN,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2ccc(C)cc2)N2CCNCC2)cc1
InChIInChI=1S/C23H31N3O/c1-4-25(5-2)23(27)21-12-10-20(11-13-21)22(26-16-14-24-15-17-26)19-8-6-18(3)7-9-19/h6-13,22,24H,4-5,14-17H2,1-3H3
InChIKeyDZRRVROYJXYKPV-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.47
Rot. Bonds6

About N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide

N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide (PubChem CID 10618862) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide
PubChem CID10618862
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2ccc(C)cc2)N2CCNCC2)cc1
InChIInChI=1S/C23H31N3O/c1-4-25(5-2)23(27)21-12-10-20(11-13-21)22(26-16-14-24-15-17-26)19-8-6-18(3)7-9-19/h6-13,22,24H,4-5,14-17H2,1-3H3
InChIKeyDZRRVROYJXYKPV-UHFFFAOYSA-N
XLogP3.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10786358
N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide
CID 69341375
ethyl N-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-piperazin-1-ylmethyl]phenyl]carbamate
CID 11669323
methyl N-[3-[(S)-[4-(diethylcarbamoyl)phenyl]-piperazin-1-ylmethyl]phenyl]carbamate
CID 58928490
N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide
CID 83978321
4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10410679
N,N-diethyl-4-[(S)-[3-[(2-phenylacetyl)amino]phenyl]-piperazin-1-ylmethyl]benzamide
CID 10345250
4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide
CID 10691980
N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide
CID 173193948
N,N-diethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(3-methylphenyl)methyl]benzamide
CID 67967833
4-[(S)-(3-aminophenyl)-(4-methylpiperazin-1-yl)methyl]-N,N-diethylbenzamide
CID 58664222
4-[2-(1,4-diazepan-1-yl)pentyl]-N,N-diethylbenzamide
CID 67647635

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide (CID 10618862) is N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide is CCN(CC)C(=O)c1ccc(C(c2ccc(C)cc2)N2CCNCC2)cc1.
What is the InChIKey of N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide?
The InChIKey is DZRRVROYJXYKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-4-25(5-2)23(27)21-12-10-20(11-13-21)22(26-16-14-24-15-17-26)19-8-6-18(3)7-9-19/h6-13,22,24H,4-5,14-17H2,1-3H3.
What are the key properties of N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide?
N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide has a molecular weight of 365.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide is sourced from PubChem (CID 10618862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).