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

C16H24N4O2 — CID 119872740

IUPAC(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
SMILESC[C@@H](N)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N4O2/c1-13(17)16(22)18-11-15(21)20-9-7-19(8-10-20)12-14-5-3-2-4-6-14/h2-6,13H,7-12,17H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyIZNFXVMASPKOCX-CYBMUJFWSA-N
MW304.39 g/mol
LogP-0.21
Rot. Bonds5

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

(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide (PubChem CID 119872740) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
PubChem CID119872740
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
SMILESC[C@@H](N)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N4O2/c1-13(17)16(22)18-11-15(21)20-9-7-19(8-10-20)12-14-5-3-2-4-6-14/h2-6,13H,7-12,17H2,1H3,(H,18,22)/t13-/m1/s1
InChIKeyIZNFXVMASPKOCX-CYBMUJFWSA-N
XLogP-0.21
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide
CID 120503600
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119872748
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
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide (CID 119872740) is (2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide is C[C@@H](N)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide?
The InChIKey is IZNFXVMASPKOCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13(17)16(22)18-11-15(21)20-9-7-19(8-10-20)12-14-5-3-2-4-6-14/h2-6,13H,7-12,17H2,1H3,(H,18,22)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide?
(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide has a molecular weight of 304.39 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide is sourced from PubChem (CID 119872740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).