1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid

C15H20N2O4 — CID 119349625

IUPAC1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid
SMILESCC(C)Oc1cccnc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-10(2)21-12-4-3-7-16-13(12)14(18)17-8-5-11(6-9-17)15(19)20/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyRPXWFPDMTRLGRF-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.81
Rot. Bonds4

About 1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid

1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119349625) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID119349625
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid
SMILESCC(C)Oc1cccnc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-10(2)21-12-4-3-7-16-13(12)14(18)17-8-5-11(6-9-17)15(19)20/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,19,20)
InChIKeyRPXWFPDMTRLGRF-UHFFFAOYSA-N
XLogP1.81
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 110023160
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 120747678
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 129346829
1-[2-(propan-2-ylamino)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349576
(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 71979487
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone;dihydrochloride
CID 120806144
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 166227834
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 104954674
1-(3-bromopyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 107517086
2-[1-(3-methoxypyridine-2-carbonyl)piperidin-4-yl]cyclopentane-1-carboxylic acid
CID 166317595
[(3R)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 129346901

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid (CID 119349625) is 1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid is CC(C)Oc1cccnc1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is RPXWFPDMTRLGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(2)21-12-4-3-7-16-13(12)14(18)17-8-5-11(6-9-17)15(19)20/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid?
1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxypyridine-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119349625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).