2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid

C15H21N3O3 — CID 62675042

IUPAC2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid
SMILESCc1cccc(CNC(=O)N2CCCC(CC(=O)O)C2)n1
InChIInChI=1S/C15H21N3O3/c1-11-4-2-6-13(17-11)9-16-15(21)18-7-3-5-12(10-18)8-14(19)20/h2,4,6,12H,3,5,7-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyYDPDCNQVGMPASR-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.79
Rot. Bonds4

About 2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid

2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid (PubChem CID 62675042) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid
PubChem CID62675042
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid
SMILESCc1cccc(CNC(=O)N2CCCC(CC(=O)O)C2)n1
InChIInChI=1S/C15H21N3O3/c1-11-4-2-6-13(17-11)9-16-15(21)18-7-3-5-12(10-18)8-14(19)20/h2,4,6,12H,3,5,7-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyYDPDCNQVGMPASR-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62689961
2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62689801
2-[1-(pyridin-3-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691175
2-[(4S)-1-(6-methylpyridine-2-carbonyl)azepan-4-yl]acetic acid
CID 129488825
1-[(6-methyl-2-pyridinyl)methylcarbamoyl]azepane-2-carboxylic acid
CID 64563323
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
2-[1-(3-methylsulfanylpropylcarbamoyl)piperidin-3-yl]acetic acid
CID 63958153
1-(4-fluorobenzoyl)-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 87041460
1-[(6-methyl-2-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62307208
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 62978191

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid (CID 62675042) is 2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid is Cc1cccc(CNC(=O)N2CCCC(CC(=O)O)C2)n1.
What is the InChIKey of 2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is YDPDCNQVGMPASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-4-2-6-13(17-11)9-16-15(21)18-7-3-5-12(10-18)8-14(19)20/h2,4,6,12H,3,5,7-10H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid?
2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62675042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).