1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C15H21N3O3 — CID 166238376

IUPAC1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(NC(=O)N2CC(C)CC(C(=O)O)C2)c(C)cn1
InChIInChI=1S/C15H21N3O3/c1-9-4-12(14(19)20)8-18(7-9)15(21)17-13-5-11(3)16-6-10(13)2/h5-6,9,12H,4,7-8H2,1-3H3,(H,19,20)(H,16,17,21)
InChIKeyYEPPNBJIUKAFLG-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.27
Rot. Bonds2

About 1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 166238376) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID166238376
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(NC(=O)N2CC(C)CC(C(=O)O)C2)c(C)cn1
InChIInChI=1S/C15H21N3O3/c1-9-4-12(14(19)20)8-18(7-9)15(21)17-13-5-11(3)16-6-10(13)2/h5-6,9,12H,4,7-8H2,1-3H3,(H,19,20)(H,16,17,21)
InChIKeyYEPPNBJIUKAFLG-UHFFFAOYSA-N
XLogP2.27
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromo-2,4-dimethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102886
5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122103026
1-[(4,5-difluoro-2-piperidin-1-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103164
5-methyl-1-[(2-methyl-5-morpholin-4-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122103044
N-(2,5-dimethyl-4-pyridinyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146129975
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102415
5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102727
5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102599
5-methyl-1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122103131
1-[(4-bromo-2-fluoro-3-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103007
1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101967

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 166238376) is 1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is Cc1cc(NC(=O)N2CC(C)CC(C(=O)O)C2)c(C)cn1.
What is the InChIKey of 1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is YEPPNBJIUKAFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9-4-12(14(19)20)8-18(7-9)15(21)17-13-5-11(3)16-6-10(13)2/h5-6,9,12H,4,7-8H2,1-3H3,(H,19,20)(H,16,17,21).
What are the key properties of 1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethyl-4-pyridinyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 166238376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).