1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid

C13H23N3O4 — CID 63124064

IUPAC1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCN(CC(=O)NC)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-4-15(9-10(17)14-3)12(20)16-7-5-13(2,6-8-16)11(18)19/h4-9H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyZZGCHPSHAWFZBY-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.36
Rot. Bonds4

About 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid

1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124064) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63124064
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCN(CC(=O)NC)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-4-15(9-10(17)14-3)12(20)16-7-5-13(2,6-8-16)11(18)19/h4-9H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyZZGCHPSHAWFZBY-UHFFFAOYSA-N
XLogP0.36
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598019
2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
CID 62312294
1-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124602
1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179110
4-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63123818
1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179302
4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 106917346
1-[2-(diethylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxylic acid
CID 63125037
1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136352
2-[(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-ethylamino]acetic acid
CID 107457328
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860
N,N,4,4-tetraethylpiperidine-1-carboxamide
CID 116655861

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 63124064) is 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid is CCN(CC(=O)NC)C(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is ZZGCHPSHAWFZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-4-15(9-10(17)14-3)12(20)16-7-5-13(2,6-8-16)11(18)19/h4-9H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).