1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid

C15H19N3O4 — CID 122558058

IUPAC1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)CN2CCCCC2C(=O)O)cc1
InChIInChI=1S/C15H19N3O4/c16-14(20)10-4-6-11(7-5-10)17-13(19)9-18-8-2-1-3-12(18)15(21)22/h4-7,12H,1-3,8-9H2,(H2,16,20)(H,17,19)(H,21,22)
InChIKeyALMSGJLGCOFNAM-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.66
Rot. Bonds5

About 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid

1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid (PubChem CID 122558058) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
PubChem CID122558058
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)CN2CCCCC2C(=O)O)cc1
InChIInChI=1S/C15H19N3O4/c16-14(20)10-4-6-11(7-5-10)17-13(19)9-18-8-2-1-3-12(18)15(21)22/h4-7,12H,1-3,8-9H2,(H2,16,20)(H,17,19)(H,21,22)
InChIKeyALMSGJLGCOFNAM-UHFFFAOYSA-N
XLogP0.66
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119909344
1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442043
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026144
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 9405076
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441026
4-[[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]benzamide
CID 11940672
2-(2-acetylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 63844823
(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 41096237
2-[2-(aminomethyl)piperidin-1-yl]-N-phenylacetamide
CID 43186987
1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64562960

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid (CID 122558058) is 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid is NC(=O)c1ccc(NC(=O)CN2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
The InChIKey is ALMSGJLGCOFNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c16-14(20)10-4-6-11(7-5-10)17-13(19)9-18-8-2-1-3-12(18)15(21)22/h4-7,12H,1-3,8-9H2,(H2,16,20)(H,17,19)(H,21,22).
What are the key properties of 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid?
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 122558058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).