3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid

C15H21N3O3 — CID 72913871

IUPAC3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCOc1cnc(N2CCCC(CC3CC3)(C(=O)O)C2)nc1
InChIInChI=1S/C15H21N3O3/c1-21-12-8-16-14(17-9-12)18-6-2-5-15(10-18,13(19)20)7-11-3-4-11/h8-9,11H,2-7,10H2,1H3,(H,19,20)
InChIKeySZWLWOGDFHZGQJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.96
Rot. Bonds5

About 3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid

3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 72913871) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID72913871
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCOc1cnc(N2CCCC(CC3CC3)(C(=O)O)C2)nc1
InChIInChI=1S/C15H21N3O3/c1-21-12-8-16-14(17-9-12)18-6-2-5-15(10-18,13(19)20)7-11-3-4-11/h8-9,11H,2-7,10H2,1H3,(H,19,20)
InChIKeySZWLWOGDFHZGQJ-UHFFFAOYSA-N
XLogP1.96
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((1S,2R)-2-(1-(5-methoxypyrimidin-2-yl)piperidin-4-yl)cyclopropyl)ethanol
CID 89581860
2-[2-[1-(5-Methoxypyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethanol
CID 123245174
[2-(1-Ethoxycarbonyl-3-azabicyclo[4.1.0]heptan-3-yl)pyrimidin-5-yl]oxyboronic acid
CID 142799073
Tert-butyl 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]acetate
CID 145591926
3-(Cyclopropylmethyl)-1-{[2-(dimethylamino)pyrimidin-5-YL]methyl}piperidine-3-carboxylic acid
CID 70750891
[3-(Cyclopropylmethyl)-1-(5-methoxy-2-pyrimidinyl)-3-piperidinyl]methanol
CID 72893013
(3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 72936986
1-(5-Methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid
CID 84788564
1-(5-Methoxypyrimidin-2-yl)cyclohexane-1-carboxylic acid
CID 84798125
1-(5-Methoxypyrimidin-2-yl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 86283623
[(3S)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol
CID 97133925
[(3R)-3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]methanol
CID 97133926

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid (CID 72913871) is 3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid is COc1cnc(N2CCCC(CC3CC3)(C(=O)O)C2)nc1.
What is the InChIKey of 3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is SZWLWOGDFHZGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-12-8-16-14(17-9-12)18-6-2-5-15(10-18,13(19)20)7-11-3-4-11/h8-9,11H,2-7,10H2,1H3,(H,19,20).
What are the key properties of 3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid?
3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 72913871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).