1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid

C14H19N3O2 — CID 126848226

IUPAC1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cc(CC3CC3)ncn2)C1
InChIInChI=1S/C14H19N3O2/c18-14(19)11-2-1-5-17(8-11)13-7-12(15-9-16-13)6-10-3-4-10/h7,9-11H,1-6,8H2,(H,18,19)
InChIKeyGFVWYHXWGRTGCT-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.73
Rot. Bonds4

About 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid

1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid (PubChem CID 126848226) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
PubChem CID126848226
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cc(CC3CC3)ncn2)C1
InChIInChI=1S/C14H19N3O2/c18-14(19)11-2-1-5-17(8-11)13-7-12(15-9-16-13)6-10-3-4-10/h7,9-11H,1-6,8H2,(H,18,19)
InChIKeyGFVWYHXWGRTGCT-UHFFFAOYSA-N
XLogP1.73
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid
CID 126848203
ethyl 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylate
CID 126849578
1-[6-(diethylamino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 66570081
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914108
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
(3R)-1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 95366508
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid;hydrochloride
CID 139026681
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 122051078
1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846340
(3R)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 97245441

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid (CID 126848226) is 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2cc(CC3CC3)ncn2)C1.
What is the InChIKey of 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
The InChIKey is GFVWYHXWGRTGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-14(19)11-2-1-5-17(8-11)13-7-12(15-9-16-13)6-10-3-4-10/h7,9-11H,1-6,8H2,(H,18,19).
What are the key properties of 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid?
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 126848226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).