4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide

C18H28N4O2 — CID 120565252

IUPAC4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
SMILESCC(N)CCC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-15(19)7-8-17(23)20-13-18(24)22-11-9-21(10-12-22)14-16-5-3-2-4-6-16/h2-6,15H,7-14,19H2,1H3,(H,20,23)
InChIKeyPANITBATUGEQTA-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.57
Rot. Bonds7

About 4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide

4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide (PubChem CID 120565252) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
PubChem CID120565252
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
SMILESCC(N)CCC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-15(19)7-8-17(23)20-13-18(24)22-11-9-21(10-12-22)14-16-5-3-2-4-6-16/h2-6,15H,7-14,19H2,1H3,(H,20,23)
InChIKeyPANITBATUGEQTA-UHFFFAOYSA-N
XLogP0.57
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 119872740
3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide
CID 120503600
2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 119872718
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119872748
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
CID 143244837
1-(4-benzylpiperazin-1-yl)-2-(butan-2-ylamino)ethanone
CID 60684325
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119872768
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide
CID 75369026

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide (CID 120565252) is 4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide is CC(N)CCC(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide?
The InChIKey is PANITBATUGEQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15(19)7-8-17(23)20-13-18(24)22-11-9-21(10-12-22)14-16-5-3-2-4-6-16/h2-6,15H,7-14,19H2,1H3,(H,20,23).
What are the key properties of 4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide?
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide has a molecular weight of 332.45 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide is sourced from PubChem (CID 120565252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).