4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide

C24H31N3O2 — CID 10691980

IUPAC4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-4-25(5-2)24(29)22-13-11-21(12-14-22)23(20-9-7-6-8-10-20)27-17-15-26(16-18-27)19(3)28/h6-14,23H,4-5,15-18H2,1-3H3
InChIKeyNZDDYXVQIGPPAR-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.42
Rot. Bonds6

About 4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide

4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide (PubChem CID 10691980) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide
PubChem CID10691980
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C24H31N3O2/c1-4-25(5-2)24(29)22-13-11-21(12-14-22)23(20-9-7-6-8-10-20)27-17-15-26(16-18-27)19(3)28/h6-14,23H,4-5,15-18H2,1-3H3
InChIKeyNZDDYXVQIGPPAR-UHFFFAOYSA-N
XLogP3.42
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[(R)-phenyl-(4-propylpiperazin-1-yl)methyl]benzamide
CID 173193948
4-[[4-(diethylcarbamoyl)phenyl]-[3-(methoxycarbonylamino)phenyl]methyl]piperazine-1-carboxylic acid
CID 67244845
4-[(S)-(3-aminophenyl)-(4-methylpiperazin-1-yl)methyl]-N,N-diethylbenzamide
CID 58664222
4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide
CID 109046463
N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide
CID 69341375
N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide
CID 10618862
4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10786358
4-[(R)-(3-aminophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N,N-diethylbenzamide
CID 10319981
[3-[(4-benzylpiperazin-1-yl)-[4-(diethylcarbamoyl)phenyl]methyl]phenyl] N-methylcarbamate
CID 91059107
N,N-diethyl-4-[(S)-[3-[(2-phenylacetyl)amino]phenyl]-piperazin-1-ylmethyl]benzamide
CID 10345250
[3-[(R)-[4-(diethylcarbamoyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-methylcarbamic acid
CID 67242524
[3-[[4-(diethylcarbamoyl)phenyl]-(4-ethylpiperazin-1-yl)methyl]phenyl] N-ethylcarbamate
CID 91007459

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide?
The IUPAC name of 4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide (CID 10691980) is 4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(c2ccccc2)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide?
The InChIKey is NZDDYXVQIGPPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-25(5-2)24(29)22-13-11-21(12-14-22)23(20-9-7-6-8-10-20)27-17-15-26(16-18-27)19(3)28/h6-14,23H,4-5,15-18H2,1-3H3.
What are the key properties of 4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide?
4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide has a molecular weight of 393.53 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide is sourced from PubChem (CID 10691980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).