4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid

C15H21N3O3 — CID 63123824

IUPAC4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCN(Cc1ccncc1)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c1-15(13(19)20)5-9-18(10-6-15)14(21)17(2)11-12-3-7-16-8-4-12/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,19,20)
InChIKeyZFAKHAFIYPPJBD-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.82
Rot. Bonds3

About 4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid

4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 63123824) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID63123824
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCN(Cc1ccncc1)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C15H21N3O3/c1-15(13(19)20)5-9-18(10-6-15)14(21)17(2)11-12-3-7-16-8-4-12/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,19,20)
InChIKeyZFAKHAFIYPPJBD-UHFFFAOYSA-N
XLogP1.82
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 2761157
Ethyl 4-(2-methoxyethyl)-1-(4-pyridinylmethyl)-4-piperidinecarboxylate
CID 16187831
1-(Pyridin-3-ylmethyl)piperidine-4-carboxylic acid;hydrochloride
CID 16192964
1-(Pyridin-4-yl)piperidine-4-carboxylic acid
CID 1268289
4-[(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-carbonyl)-amino]-butyric acid
CID 44268287
1-(2-Pyridin-4-yl-2,8-diaza-spiro[4.5]decane-8-carbonyl)-piperidine-4-carboxylic acid
CID 44268364
N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 121446737
5-Oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 3157477
1-(Pyridin-4-yl)piperidine-4-carboxylic acid hydrochloride
CID 16217269
1-(Pyridin-2-yl)piperidine-4-carboxylic acid
CID 17750381
1-(Pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 4547212
Methyl 4-[sec-butyl(pyridin-4-ylmethyl)amino]-4-oxobutanoate
CID 50984181

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid (CID 63123824) is 4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid is CN(Cc1ccncc1)C(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is ZFAKHAFIYPPJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(13(19)20)5-9-18(10-6-15)14(21)17(2)11-12-3-7-16-8-4-12/h3-4,7-8H,5-6,9-11H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63123824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).