1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid

C13H17N3O3 — CID 43318535

IUPAC1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C13H17N3O3/c17-12(18)10-4-7-16(8-5-10)13(19)15-9-11-3-1-2-6-14-11/h1-3,6,10H,4-5,7-9H2,(H,15,19)(H,17,18)
InChIKeyIWSADDRBNUYJAP-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.09
Rot. Bonds3

About 1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid

1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 43318535) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID43318535
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C13H17N3O3/c17-12(18)10-4-7-16(8-5-10)13(19)15-9-11-3-1-2-6-14-11/h1-3,6,10H,4-5,7-9H2,(H,15,19)(H,17,18)
InChIKeyIWSADDRBNUYJAP-UHFFFAOYSA-N
XLogP1.09
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95150905
1-N-cyclohexyl-4-N-(pyridin-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 113004461
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810
1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122000164
2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62689961
4-[(4-fluorophenyl)-hydroxymethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 111109548
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
4-tert-butyl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108387
4-(4-methylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108394
4-(1,1-dioxothiolan-3-yl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108379
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid (CID 43318535) is 1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is IWSADDRBNUYJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(18)10-4-7-16(8-5-10)13(19)15-9-11-3-1-2-6-14-11/h1-3,6,10H,4-5,7-9H2,(H,15,19)(H,17,18).
What are the key properties of 1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid?
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43318535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).