1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid

C15H19N3O4 — CID 82026144

IUPAC1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)CN2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H19N3O4/c16-14(20)10-3-5-12(6-4-10)17-13(19)9-18-7-1-2-11(8-18)15(21)22/h3-6,11H,1-2,7-9H2,(H2,16,20)(H,17,19)(H,21,22)
InChIKeyQKVBZNCLCBSGID-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.52
Rot. Bonds5

About 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid

1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid (PubChem CID 82026144) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
PubChem CID82026144
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)CN2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H19N3O4/c16-14(20)10-3-5-12(6-4-10)17-13(19)9-18-7-1-2-11(8-18)15(21)22/h3-6,11H,1-2,7-9H2,(H2,16,20)(H,17,19)(H,21,22)
InChIKeyQKVBZNCLCBSGID-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43440705
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
4-[[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]benzamide
CID 11940672
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 122558058
(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305538
1-[2-(3-amino-4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026204
ethyl (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533005
N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584521
1-[2-(carbamoylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385852
2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618914
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid (CID 82026144) is 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid is NC(=O)c1ccc(NC(=O)CN2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid?
The InChIKey is QKVBZNCLCBSGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c16-14(20)10-3-5-12(6-4-10)17-13(19)9-18-7-1-2-11(8-18)15(21)22/h3-6,11H,1-2,7-9H2,(H2,16,20)(H,17,19)(H,21,22).
What are the key properties of 1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid?
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-3-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 0.52, 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-3-carboxylic acid is sourced from PubChem (CID 82026144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).