1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid

C19H21N3O2 — CID 102549353

IUPAC1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cc(-c3ccccc3)nc(C3CC3)n2)C1
InChIInChI=1S/C19H21N3O2/c23-19(24)15-7-4-10-22(12-15)17-11-16(13-5-2-1-3-6-13)20-18(21-17)14-8-9-14/h1-3,5-6,11,14-15H,4,7-10,12H2,(H,23,24)
InChIKeyCZTLKDVTWLIFCB-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid

1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 102549353) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID102549353
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2cc(-c3ccccc3)nc(C3CC3)n2)C1
InChIInChI=1S/C19H21N3O2/c23-19(24)15-7-4-10-22(12-15)17-11-16(13-5-2-1-3-6-13)20-18(21-17)14-8-9-14/h1-3,5-6,11,14-15H,4,7-10,12H2,(H,23,24)
InChIKeyCZTLKDVTWLIFCB-UHFFFAOYSA-N
XLogP3.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
1-[5-(3-bromophenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
CID 112707624
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidine-3-carboxylic acid
CID 122064509
1-(6-chloro-2-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 121204774
1-(2-hydroxyphenyl)piperidine-3-carboxylic acid
CID 115032530
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767515
1-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]piperidine-3-carboxylic acid
CID 56767537

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 102549353) is 1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2cc(-c3ccccc3)nc(C3CC3)n2)C1.
What is the InChIKey of 1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is CZTLKDVTWLIFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(24)15-7-4-10-22(12-15)17-11-16(13-5-2-1-3-6-13)20-18(21-17)14-8-9-14/h1-3,5-6,11,14-15H,4,7-10,12H2,(H,23,24).
What are the key properties of 1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid?
1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 323.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 102549353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).