3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid

C15H21N3O3 — CID 81048957

IUPAC3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(c2ccc(C(N)=O)cn2)C1
InChIInChI=1S/C15H21N3O3/c1-10(7-14(19)20)12-3-2-6-18(9-12)13-5-4-11(8-17-13)15(16)21/h4-5,8,10,12H,2-3,6-7,9H2,1H3,(H2,16,21)(H,19,20)
InChIKeyWPADVAWGTYWOJH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.51
Rot. Bonds5

About 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid

3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid (PubChem CID 81048957) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid
PubChem CID81048957
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(c2ccc(C(N)=O)cn2)C1
InChIInChI=1S/C15H21N3O3/c1-10(7-14(19)20)12-3-2-6-18(9-12)13-5-4-11(8-17-13)15(16)21/h4-5,8,10,12H,2-3,6-7,9H2,1H3,(H2,16,21)(H,19,20)
InChIKeyWPADVAWGTYWOJH-UHFFFAOYSA-N
XLogP1.51
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid
CID 81046783
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 112627849
6-[3-(2-hydroxyethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 78999071
methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
CID 115538439
6-(4-phenylazepan-1-yl)pyridine-3-carboxamide
CID 166186710
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79608982
6-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 69276901
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 63903910
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 69360370
3-[1-(pyridine-4-carbonyl)piperidin-3-yl]butanoic acid
CID 81046489
methyl 1-(5-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 78984051
6-(3-aminoazetidin-1-yl)pyridine-3-carboxamide
CID 65250216

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid (CID 81048957) is 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(c2ccc(C(N)=O)cn2)C1.
What is the InChIKey of 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid?
The InChIKey is WPADVAWGTYWOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(7-14(19)20)12-3-2-6-18(9-12)13-5-4-11(8-17-13)15(16)21/h4-5,8,10,12H,2-3,6-7,9H2,1H3,(H2,16,21)(H,19,20).
What are the key properties of 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid?
3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-carbamoyl-2-pyridinyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81048957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).