(2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

C13H22N4O4 — CID 9423832

IUPAC(2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESCOCC(=O)N1CCN[C@H](C(=O)N[C@H]2CCCNC2=O)C1
InChIInChI=1S/C13H22N4O4/c1-21-8-11(18)17-6-5-14-10(7-17)13(20)16-9-3-2-4-15-12(9)19/h9-10,14H,2-8H2,1H3,(H,15,19)(H,16,20)/t9-,10-/m0/s1
InChIKeyRKWWSBMMYOKJIN-UWVGGRQHSA-N
MW298.34 g/mol
LogP-2.17
Rot. Bonds4

About (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide

(2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (PubChem CID 9423832) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
PubChem CID9423832
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name(2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
SMILESCOCC(=O)N1CCN[C@H](C(=O)N[C@H]2CCCNC2=O)C1
InChIInChI=1S/C13H22N4O4/c1-21-8-11(18)17-6-5-14-10(7-17)13(20)16-9-3-2-4-15-12(9)19/h9-10,14H,2-8H2,1H3,(H,15,19)(H,16,20)/t9-,10-/m0/s1
InChIKeyRKWWSBMMYOKJIN-UWVGGRQHSA-N
XLogP-2.17
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-2.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682216
4-acetyl-1-(2-methoxyacetyl)-N-(2-oxopiperidin-3-yl)piperazine-2-carboxamide
CID 78524418
(2R)-4-(morpholine-4-carbonyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682222
(2R)-4-(2-methoxyacetyl)-N-[(3R)-2-oxopiperidin-3-yl]-1-(pyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 163158475
(2S)-1-[4-(dimethylamino)benzoyl]-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 11911666
(2S)-1-(2-methoxyacetyl)-4-(4-methoxybenzoyl)-N-[(3R)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 163097256
(2R)-4-(2-methoxyacetyl)piperazine-2-carboxamide
CID 25391090
N-(2-oxoazepan-3-yl)pyrrolidine-2-carboxamide
CID 43704078
2-(2-methoxyethylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 79281089
2-methoxy-1-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 113263934
methyl 2-[(2-oxopiperidin-3-yl)amino]acetate
CID 22906858
1-acetyl-N-(2-oxopiperidin-3-yl)-4-(1,3-thiazolidine-4-carbonyl)piperazine-2-carboxamide
CID 73148897

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The IUPAC name of (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide (CID 9423832) is (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is COCC(=O)N1CCN[C@H](C(=O)N[C@H]2CCCNC2=O)C1.
What is the InChIKey of (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
The InChIKey is RKWWSBMMYOKJIN-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-21-8-11(18)17-6-5-14-10(7-17)13(20)16-9-3-2-4-15-12(9)19/h9-10,14H,2-8H2,1H3,(H,15,19)(H,16,20)/t9-,10-/m0/s1.
What are the key properties of (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide?
(2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide has a molecular weight of 298.34 g/mol, XLogP of -2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide is sourced from PubChem (CID 9423832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).