2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid

C13H17N3O3 — CID 79608982

IUPAC2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
SMILESNC(=O)c1ccc(N2CCC(CC(=O)O)CC2)nc1
InChIInChI=1S/C13H17N3O3/c14-13(19)10-1-2-11(15-8-10)16-5-3-9(4-6-16)7-12(17)18/h1-2,8-9H,3-7H2,(H2,14,19)(H,17,18)
InChIKeyOCBLPUPWQUHJLT-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.87
Rot. Bonds4

About 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid

2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid (PubChem CID 79608982) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
PubChem CID79608982
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
SMILESNC(=O)c1ccc(N2CCC(CC(=O)O)CC2)nc1
InChIInChI=1S/C13H17N3O3/c14-13(19)10-1-2-11(15-8-10)16-5-3-9(4-6-16)7-12(17)18/h1-2,8-9H,3-7H2,(H2,14,19)(H,17,18)
InChIKeyOCBLPUPWQUHJLT-UHFFFAOYSA-N
XLogP0.87
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63903910
6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 176985331
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 69360370
6-(3-aminoazetidin-1-yl)pyridine-3-carboxamide
CID 65250216
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
CID 166186710
6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 78999071
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 112627849
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid
CID 81048957

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid (CID 79608982) is 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid is NC(=O)c1ccc(N2CCC(CC(=O)O)CC2)nc1.
What is the InChIKey of 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid?
The InChIKey is OCBLPUPWQUHJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c14-13(19)10-1-2-11(15-8-10)16-5-3-9(4-6-16)7-12(17)18/h1-2,8-9H,3-7H2,(H2,14,19)(H,17,18).
What are the key properties of 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid?
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid has a molecular weight of 263.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).