N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide

C24H33N3O — CID 134014925

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide
SMILESCCCC(C(=O)NCCN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H33N3O/c1-2-9-23(22-12-7-4-8-13-22)24(28)25-14-15-26-16-18-27(19-17-26)20-21-10-5-3-6-11-21/h3-8,10-13,23H,2,9,14-20H2,1H3,(H,25,28)
InChIKeyNAOIHSYWAXVDMH-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.50
Rot. Bonds9

About N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide (PubChem CID 134014925) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide
PubChem CID134014925
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide
SMILESCCCC(C(=O)NCCN1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H33N3O/c1-2-9-23(22-12-7-4-8-13-22)24(28)25-14-15-26-16-18-27(19-17-26)20-21-10-5-3-6-11-21/h3-8,10-13,23H,2,9,14-20H2,1H3,(H,25,28)
InChIKeyNAOIHSYWAXVDMH-UHFFFAOYSA-N
XLogP3.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(2-piperazin-1-ylethyl)pentanamide
CID 119445557
(2S)-2-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]butanamide;trihydrochloride
CID 119900995
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylmethoxypropanamide
CID 39301136
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 39984129
3-amino-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 62878557
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892815
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylpentanamide
CID 18291151
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 97445107
1-[2-(4-benzylpiperazin-1-yl)ethyl]-2-butylguanidine
CID 111029614
2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 110355487
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpentanamide
CID 140983186

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide (CID 134014925) is N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide is CCCC(C(=O)NCCN1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide?
The InChIKey is NAOIHSYWAXVDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-2-9-23(22-12-7-4-8-13-22)24(28)25-14-15-26-16-18-27(19-17-26)20-21-10-5-3-6-11-21/h3-8,10-13,23H,2,9,14-20H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide has a molecular weight of 379.55 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-phenylpentanamide is sourced from PubChem (CID 134014925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).