2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide

C14H19N3O2 — CID 8963123

IUPAC2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CN1CCNC(=O)C1)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-11(12-5-3-2-4-6-12)16-14(19)10-17-8-7-15-13(18)9-17/h2-6,11H,7-10H2,1H3,(H,15,18)(H,16,19)/t11-/m0/s1
InChIKeyJZDKELHAKSLKBS-NSHDSACASA-N
MW261.32 g/mol
LogP0.30
Rot. Bonds4

About 2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide

2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 8963123) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID8963123
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CN1CCNC(=O)C1)c1ccccc1
InChIInChI=1S/C14H19N3O2/c1-11(12-5-3-2-4-6-12)16-14(19)10-17-8-7-15-13(18)9-17/h2-6,11H,7-10H2,1H3,(H,15,18)(H,16,19)/t11-/m0/s1
InChIKeyJZDKELHAKSLKBS-NSHDSACASA-N
XLogP0.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8962709
2-(3-oxopiperazin-1-yl)-N-propan-2-ylacetamide
CID 162152546
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8549120
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8709816
2-(3-oxopiperazin-1-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8549245
2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide
CID 65448844
N-[(1R)-1-(3-bromophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 81376325
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-piperazin-1-yl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407274
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide (CID 8963123) is 2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)CN1CCNC(=O)C1)c1ccccc1.
What is the InChIKey of 2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is JZDKELHAKSLKBS-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(12-5-3-2-4-6-12)16-14(19)10-17-8-7-15-13(18)9-17/h2-6,11H,7-10H2,1H3,(H,15,18)(H,16,19)/t11-/m0/s1.
What are the key properties of 2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide?
2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxopiperazin-1-yl)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 8963123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).