2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid

C14H19N3O3 — CID 79606453

IUPAC2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCc1ncccc1NC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-10-12(3-2-6-15-10)16-14(20)17-7-4-11(5-8-17)9-13(18)19/h2-3,6,11H,4-5,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyIHDPXFCSHQJXCP-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.11
Rot. Bonds3

About 2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid

2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79606453) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid
PubChem CID79606453
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESCc1ncccc1NC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-10-12(3-2-6-15-10)16-14(20)17-7-4-11(5-8-17)9-13(18)19/h2-3,6,11H,4-5,7-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyIHDPXFCSHQJXCP-UHFFFAOYSA-N
XLogP2.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608695
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 79043834
2-[1-[(5-bromo-2-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79611094
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79610817
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79043144
1-[(2-methyl-3-pyridinyl)carbamoyl]azepane-2-carboxylic acid
CID 79043925
1-benzoyl-N-(2-methyl-3-pyridinyl)piperidine-4-carboxamide
CID 154737923
1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide
CID 167975602
2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 113227915
2-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79614868
2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616406
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid (CID 79606453) is 2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid is Cc1ncccc1NC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is IHDPXFCSHQJXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-12(3-2-6-15-10)16-14(20)17-7-4-11(5-8-17)9-13(18)19/h2-3,6,11H,4-5,7-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-3-pyridinyl)carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79606453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).