1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid

C13H17N3O2 — CID 91623620

IUPAC1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C13H17N3O2/c17-13(18)10-2-1-5-16(7-10)12-6-11(9-3-4-9)14-8-15-12/h6,8-10H,1-5,7H2,(H,17,18)
InChIKeyVYEFIGNHQKUSDI-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.65
Rot. Bonds3

About 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid

1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 91623620) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID91623620
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C13H17N3O2/c17-13(18)10-2-1-5-16(7-10)12-6-11(9-3-4-9)14-8-15-12/h6,8-10H,1-5,7H2,(H,17,18)
InChIKeyVYEFIGNHQKUSDI-UHFFFAOYSA-N
XLogP1.65
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-Dimethylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 650474
8-(6-Cyclopropyl-4-pyrimidinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56901714
8-(6-Cyclopropyl-4-pyrimidinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72934677
2-(Pyrimidin-4-yl)propanoic acid
CID 82417173
Ethyl 2-(6-morpholinopyrimidin-4-yl)acetate
CID 129857844
[(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 97131261
(3R)-1-(6-cyclopropylpyrimidin-4-yl)-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 97135193
(4R)-2-(6-cyclopropylpyrimidin-4-yl)-2-azaspiro[4.5]decane-4-carboxylic acid
CID 129524488
(3S,4S)-1-(6-cyclopropylpyrimidin-4-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 136588245
(3R,4R)-1-(6-butylpyrimidin-4-yl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 164632400
(3R,4R)-4-cyclopropyl-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 164634081
2-[1-[1,2-Difluoro-4-[4-(2-methylpropyl)pyrimidin-2-yl]cyclohexa-2,4-dien-1-yl]piperidin-4-yl]acetic acid
CID 172858004

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 91623620) is 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is VYEFIGNHQKUSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-13(18)10-2-1-5-16(7-10)12-6-11(9-3-4-9)14-8-15-12/h6,8-10H,1-5,7H2,(H,17,18).
What are the key properties of 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid?
1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 247.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 91623620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).