1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid

C14H21N3O3 — CID 63136313

IUPAC1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(c2nccc(OC)n2)C1
InChIInChI=1S/C14H21N3O3/c1-3-6-14(12(18)19)7-4-9-17(10-14)13-15-8-5-11(16-13)20-2/h5,8H,3-4,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyHUCHSWABZYVUFJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.96
Rot. Bonds5

About 1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid

1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid (PubChem CID 63136313) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
PubChem CID63136313
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(c2nccc(OC)n2)C1
InChIInChI=1S/C14H21N3O3/c1-3-6-14(12(18)19)7-4-9-17(10-14)13-15-8-5-11(16-13)20-2/h5,8H,3-4,6-7,9-10H2,1-2H3,(H,18,19)
InChIKeyHUCHSWABZYVUFJ-UHFFFAOYSA-N
XLogP1.96
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxypyrimidin-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 55166350
3-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 115973040
(3S,4S)-3-(hydroxymethyl)-1-(4-methoxypyrimidin-2-yl)-3-propylpiperidin-4-ol
CID 155506237
3-ethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 64586238
1-(4-aminopyrimidin-2-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylic acid
CID 56872755
(5R)-2-(4-methoxypyrimidin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97130596
(3S)-1-(4-ethyl-5-methylpyrimidin-2-yl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97121048
1-(4,6-dimethoxypyrimidin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 115354743
3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451
1-[2-(dimethylamino)pyrimidin-4-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 64829459
(3aS,6aR)-2-(4-methoxypyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063579
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid (CID 63136313) is 1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(c2nccc(OC)n2)C1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid?
The InChIKey is HUCHSWABZYVUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-6-14(12(18)19)7-4-9-17(10-14)13-15-8-5-11(16-13)20-2/h5,8H,3-4,6-7,9-10H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid?
1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid has a molecular weight of 279.34 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 1-(4-methoxypyrimidin-2-yl)-3-propylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).