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

C18H28N4O2 — CID 120503600

IUPAC3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-14(15(2)19)18(24)20-12-17(23)22-10-8-21(9-11-22)13-16-6-4-3-5-7-16/h3-7,14-15H,8-13,19H2,1-2H3,(H,20,24)
InChIKeyILTZQXSGEMUFDS-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.43
Rot. Bonds6

About 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide

3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide (PubChem CID 120503600) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide
PubChem CID120503600
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide
SMILESCC(N)C(C)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-14(15(2)19)18(24)20-12-17(23)22-10-8-21(9-11-22)13-16-6-4-3-5-7-16/h3-7,14-15H,8-13,19H2,1-2H3,(H,20,24)
InChIKeyILTZQXSGEMUFDS-UHFFFAOYSA-N
XLogP0.43
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.43
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
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119872748
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
3-amino-1-(4-benzylpiperazin-1-yl)-2-methylbutan-1-one;dihydrochloride
CID 120502407
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
(2S)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybutanamide
CID 95161190
1-(4-benzylpiperazin-1-yl)-2-(butan-2-ylamino)ethanone
CID 60684325
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 119872718
N-[2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55928827

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide (CID 120503600) is 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide is CC(N)C(C)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide?
The InChIKey is ILTZQXSGEMUFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14(15(2)19)18(24)20-12-17(23)22-10-8-21(9-11-22)13-16-6-4-3-5-7-16/h3-7,14-15H,8-13,19H2,1-2H3,(H,20,24).
What are the key properties of 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide?
3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide has a molecular weight of 332.45 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide is sourced from PubChem (CID 120503600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).