4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid

C18H27N3O2 — CID 56864982

IUPAC4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCCc1nc(C)cc(N2CCC(CC3CC3)(C(=O)O)CC2)n1
InChIInChI=1S/C18H27N3O2/c1-3-4-15-19-13(2)11-16(20-15)21-9-7-18(8-10-21,17(22)23)12-14-5-6-14/h11,14H,3-10,12H2,1-2H3,(H,22,23)
InChIKeyBSAYQVLGFDBXMP-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.21
Rot. Bonds6

About 4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid

4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 56864982) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID56864982
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESCCCc1nc(C)cc(N2CCC(CC3CC3)(C(=O)O)CC2)n1
InChIInChI=1S/C18H27N3O2/c1-3-4-15-19-13(2)11-16(20-15)21-9-7-18(8-10-21,17(22)23)12-14-5-6-14/h11,14H,3-10,12H2,1-2H3,(H,22,23)
InChIKeyBSAYQVLGFDBXMP-UHFFFAOYSA-N
XLogP3.21
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid (CID 56864982) is 4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid is CCCc1nc(C)cc(N2CCC(CC3CC3)(C(=O)O)CC2)n1.
What is the InChIKey of 4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is BSAYQVLGFDBXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-4-15-19-13(2)11-16(20-15)21-9-7-18(8-10-21,17(22)23)12-14-5-6-14/h11,14H,3-10,12H2,1-2H3,(H,22,23).
What are the key properties of 4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid?
4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 317.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-(6-methyl-2-propylpyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56864982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).