4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid

C15H21N3O3 — CID 63123409

IUPAC4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCc2ccccn2)CC1
InChIInChI=1S/C15H21N3O3/c1-15(13(19)20)6-10-18(11-7-15)14(21)17-9-5-12-4-2-3-8-16-12/h2-4,8H,5-7,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyXPNXKNKRQYEQAL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.52
Rot. Bonds4

About 4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid

4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 63123409) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID63123409
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCc2ccccn2)CC1
InChIInChI=1S/C15H21N3O3/c1-15(13(19)20)6-10-18(11-7-15)14(21)17-9-5-12-4-2-3-8-16-12/h2-4,8H,5-7,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyXPNXKNKRQYEQAL-UHFFFAOYSA-N
XLogP1.52
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 47128142
1-(2-pyridin-2-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43318489
4-methylsulfonyl-N-(2-pyridin-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 119069721
4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 51274227
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163
1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63124361
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
4-(3-methoxypropyl)-N-(2-pyridin-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 56793069
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294
1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 83114282
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 79043834
1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid (CID 63123409) is 4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCCc2ccccn2)CC1.
What is the InChIKey of 4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is XPNXKNKRQYEQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(13(19)20)6-10-18(11-7-15)14(21)17-9-5-12-4-2-3-8-16-12/h2-4,8H,5-7,9-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid?
4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63123409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).