1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid

C14H17N3O4 — CID 119349505

IUPAC1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
SMILESO=C(NCC(=O)N1CCC(C(=O)O)CC1)c1ccccn1
InChIInChI=1S/C14H17N3O4/c18-12(17-7-4-10(5-8-17)14(20)21)9-16-13(19)11-3-1-2-6-15-11/h1-3,6,10H,4-5,7-9H2,(H,16,19)(H,20,21)
InChIKeyFDSZXMXRJVUMEC-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.13
Rot. Bonds4

About 1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid

1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid (PubChem CID 119349505) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
PubChem CID119349505
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
SMILESO=C(NCC(=O)N1CCC(C(=O)O)CC1)c1ccccn1
InChIInChI=1S/C14H17N3O4/c18-12(17-7-4-10(5-8-17)14(20)21)9-16-13(19)11-3-1-2-6-15-11/h1-3,6,10H,4-5,7-9H2,(H,16,19)(H,20,21)
InChIKeyFDSZXMXRJVUMEC-UHFFFAOYSA-N
XLogP0.13
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
CID 120742807
1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 71649612
N-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide;dihydrochloride
CID 119480499
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
CID 119632371
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
N-phenacylpyridine-2-carboxamide
CID 64991609
N-[3-oxo-3-[4-(pyridine-2-carbonyl)piperazin-1-yl]propyl]pyridine-2-carboxamide
CID 75395596
trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 108732321
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid (CID 119349505) is 1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid is O=C(NCC(=O)N1CCC(C(=O)O)CC1)c1ccccn1.
What is the InChIKey of 1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is FDSZXMXRJVUMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c18-12(17-7-4-10(5-8-17)14(20)21)9-16-13(19)11-3-1-2-6-15-11/h1-3,6,10H,4-5,7-9H2,(H,16,19)(H,20,21).
What are the key properties of 1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid?
1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).