(2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide

C15H22N4O3 — CID 95821736

IUPAC(2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(c2ccc(OC)cc2)CCN1CC(N)=O
InChIInChI=1S/C15H22N4O3/c1-17-15(21)13-9-18(7-8-19(13)10-14(16)20)11-3-5-12(22-2)6-4-11/h3-6,13H,7-10H2,1-2H3,(H2,16,20)(H,17,21)/t13-/m0/s1
InChIKeyAOUOEWJRUWMVHH-ZDUSSCGKSA-N
MW306.37 g/mol
LogP-0.58
Rot. Bonds5

About (2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide

(2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide (PubChem CID 95821736) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide
PubChem CID95821736
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(c2ccc(OC)cc2)CCN1CC(N)=O
InChIInChI=1S/C15H22N4O3/c1-17-15(21)13-9-18(7-8-19(13)10-14(16)20)11-3-5-12(22-2)6-4-11/h3-6,13H,7-10H2,1-2H3,(H2,16,20)(H,17,21)/t13-/m0/s1
InChIKeyAOUOEWJRUWMVHH-ZDUSSCGKSA-N
XLogP-0.58
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenyl)-N-methyl-1-(2-methylpyrimidin-4-yl)piperazine-2-carboxamide
CID 110096017
1-[2-(3-acetamido-4-methylanilino)-2-oxoethyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110152768
1-[2-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 62030100
(2S)-4-benzyl-1-[[4-hydroxy-1-(4-methoxyphenyl)piperidin-4-yl]methyl]-N-methylpiperazine-2-carboxamide
CID 129459468
4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
CID 132780211
(2S)-4-(4-methoxyphenyl)-N,N-dimethyl-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperazine-2-carboxamide
CID 129455255
(2S)-1-[2-[(2,3-dimethyl-1H-indol-5-yl)methylamino]-2-oxoethyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 124969174
1-[[1-(4-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-4-(4-methoxyphenyl)piperazine-2-carboxamide
CID 110152315
(3R)-1-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 28875717
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
2-[2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]acetamide
CID 47280768
(2R)-4-(4-methoxyphenyl)-1-[2-oxo-2-[(2-oxo-3-propyl-1,3-benzoxazol-6-yl)amino]ethyl]piperazine-2-carboxamide
CID 125002159

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide (CID 95821736) is (2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide is CNC(=O)[C@@H]1CN(c2ccc(OC)cc2)CCN1CC(N)=O.
What is the InChIKey of (2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is AOUOEWJRUWMVHH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-17-15(21)13-9-18(7-8-19(13)10-14(16)20)11-3-5-12(22-2)6-4-11/h3-6,13H,7-10H2,1-2H3,(H2,16,20)(H,17,21)/t13-/m0/s1.
What are the key properties of (2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide?
(2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-amino-2-oxoethyl)-4-(4-methoxyphenyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 95821736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).