N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide

C30H38N4O — CID 69341375

IUPACN,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc(N(CC)c3ccccc3)c2)N2CCNCC2)cc1
InChIInChI=1S/C30H38N4O/c1-4-32(5-2)30(35)25-17-15-24(16-18-25)29(33-21-19-31-20-22-33)26-11-10-14-28(23-26)34(6-3)27-12-8-7-9-13-27/h7-18,23,29,31H,4-6,19-22H2,1-3H3
InChIKeyRNIJUYPIDYBVSV-UHFFFAOYSA-N
MW470.66 g/mol
LogP5.32
Rot. Bonds9

About N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide

N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide (PubChem CID 69341375) has the molecular formula C30H38N4O and a molecular weight of 470.66 g/mol. Its IUPAC name is N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide
PubChem CID69341375
Molecular FormulaC30H38N4O
Molecular Weight470.66 g/mol
Exact Mass470.30
IUPAC NameN,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc(N(CC)c3ccccc3)c2)N2CCNCC2)cc1
InChIInChI=1S/C30H38N4O/c1-4-32(5-2)30(35)25-17-15-24(16-18-25)29(33-21-19-31-20-22-33)26-11-10-14-28(23-26)34(6-3)27-12-8-7-9-13-27/h7-18,23,29,31H,4-6,19-22H2,1-3H3
InChIKeyRNIJUYPIDYBVSV-UHFFFAOYSA-N
XLogP5.32
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide
CID 10618862
N,N-diethyl-4-[(S)-[3-[(2-phenylacetyl)amino]phenyl]-piperazin-1-ylmethyl]benzamide
CID 10345250
4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10786358
methyl N-[3-[(S)-[4-(diethylcarbamoyl)phenyl]-piperazin-1-ylmethyl]phenyl]carbamate
CID 58928490
4-[(R)-[3-(cyclopentylamino)phenyl]-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10410679
ethyl N-[3-[(R)-[4-(diethylcarbamoyl)phenyl]-piperazin-1-ylmethyl]phenyl]carbamate
CID 11669323
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
[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-methylcarbamic acid
CID 67242524
1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride
CID 23447945
4-[(S)-(3-aminophenyl)-(4-methylpiperazin-1-yl)methyl]-N,N-diethylbenzamide
CID 58664222
4-[(R)-(3-aminophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide
CID 10319981

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide (CID 69341375) is N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide is CCN(CC)C(=O)c1ccc(C(c2cccc(N(CC)c3ccccc3)c2)N2CCNCC2)cc1.
What is the InChIKey of N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide?
The InChIKey is RNIJUYPIDYBVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O/c1-4-32(5-2)30(35)25-17-15-24(16-18-25)29(33-21-19-31-20-22-33)26-11-10-14-28(23-26)34(6-3)27-12-8-7-9-13-27/h7-18,23,29,31H,4-6,19-22H2,1-3H3.
What are the key properties of N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide?
N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide has a molecular weight of 470.66 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide is sourced from PubChem (CID 69341375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).