N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide

C13H23N3O2 — CID 95209721

IUPACN-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide
SMILESCC/C=C(\C)CN1CCNC(=O)[C@@H]1CC(=O)NC
InChIInChI=1S/C13H23N3O2/c1-4-5-10(2)9-16-7-6-15-13(18)11(16)8-12(17)14-3/h5,11H,4,6-9H2,1-3H3,(H,14,17)(H,15,18)/b10-5+/t11-/m0/s1
InChIKeyCBNDXYRKBFYHJU-UAWPZABVSA-N
MW253.35 g/mol
LogP0.28
Rot. Bonds5

About N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide

N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 95209721) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID95209721
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide
SMILESCC/C=C(\C)CN1CCNC(=O)[C@@H]1CC(=O)NC
InChIInChI=1S/C13H23N3O2/c1-4-5-10(2)9-16-7-6-15-13(18)11(16)8-12(17)14-3/h5,11H,4,6-9H2,1-3H3,(H,14,17)(H,15,18)/b10-5+/t11-/m0/s1
InChIKeyCBNDXYRKBFYHJU-UAWPZABVSA-N
XLogP0.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[(2R)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-oxopiperazin-2-yl]acetamide
CID 95120552
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
4-(3,3-dimethyl-2-oxobutyl)-3-ethylpiperazin-2-one
CID 63600469
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95719696
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 56902232
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887158
N-[2-(methylamino)-2-oxoethyl]-2-[(2S)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-2-yl]acetamide
CID 95721162
2-[1-(1H-indol-7-ylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 77092889
2-[(2S)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 125155492
methyl 2-[3-oxo-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperazin-2-yl]acetate
CID 47010478
propyl 2-[1-[2-(heptylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819590

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide (CID 95209721) is N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide is CC/C=C(\C)CN1CCNC(=O)[C@@H]1CC(=O)NC.
What is the InChIKey of N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is CBNDXYRKBFYHJU-UAWPZABVSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-5-10(2)9-16-7-6-15-13(18)11(16)8-12(17)14-3/h5,11H,4,6-9H2,1-3H3,(H,14,17)(H,15,18)/b10-5+/t11-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide?
N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 253.35 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-1-[(E)-2-methylpent-2-enyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95209721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).