(3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

C15H23N3O2 — CID 97113802

IUPAC(3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCC[C@@]1(C(=O)O)CCCN(c2ncncc2C(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-4-15(14(19)20)6-5-7-18(9-15)13-12(11(2)3)8-16-10-17-13/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyKPCYEVLLMQAAMW-OAHLLOKOSA-N
MW277.37 g/mol
LogP2.68
Rot. Bonds4

About (3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid

(3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 97113802) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID97113802
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCC[C@@]1(C(=O)O)CCCN(c2ncncc2C(C)C)C1
InChIInChI=1S/C15H23N3O2/c1-4-15(14(19)20)6-5-7-18(9-15)13-12(11(2)3)8-16-10-17-13/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyKPCYEVLLMQAAMW-OAHLLOKOSA-N
XLogP2.68
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid (CID 97113802) is (3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is CC[C@@]1(C(=O)O)CCCN(c2ncncc2C(C)C)C1.
What is the InChIKey of (3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is KPCYEVLLMQAAMW-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-15(14(19)20)6-5-7-18(9-15)13-12(11(2)3)8-16-10-17-13/h8,10-11H,4-7,9H2,1-3H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid?
(3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-1-(5-propan-2-ylpyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 97113802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).