1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid

C14H19N3O3 — CID 43395822

IUPAC1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)c1cc(N2CCC(C(=O)O)CC2)ccn1
InChIInChI=1S/C14H19N3O3/c1-16(2)13(18)12-9-11(3-6-15-12)17-7-4-10(5-8-17)14(19)20/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,19,20)
InChIKeyQMEVRMRQPDLGOO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.08
Rot. Bonds3

About 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid

1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 43395822) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid
PubChem CID43395822
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)c1cc(N2CCC(C(=O)O)CC2)ccn1
InChIInChI=1S/C14H19N3O3/c1-16(2)13(18)12-9-11(3-6-15-12)17-7-4-10(5-8-17)14(19)20/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,19,20)
InChIKeyQMEVRMRQPDLGOO-UHFFFAOYSA-N
XLogP1.08
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
4-(3-hydroxypyrrolidin-1-yl)-N,N-dimethylpyridine-2-carboxamide
CID 62917818
4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 62063610
N,N-dimethyl-4-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 136528477
methyl 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-3-carboxylate
CID 115538469
N,N-dimethyl-4-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyridine-2-carboxamide
CID 136524869
4-[4-(1-cyanoethyl)piperazin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 63344096
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758
4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
CID 109216380
bis(1-methyl-2-(1-methylimidazol-2-yl)imidazole);osmium;1-(2-pyridin-2-yl-4-pyridinyl)piperidine-4-carboxylic acid;trichloride
CID 10123777
N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
CID 56912622

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid (CID 43395822) is 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid is CN(C)C(=O)c1cc(N2CCC(C(=O)O)CC2)ccn1.
What is the InChIKey of 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is QMEVRMRQPDLGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16(2)13(18)12-9-11(3-6-15-12)17-7-4-10(5-8-17)14(19)20/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid?
1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43395822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).