3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide

C18H28N4O — CID 122298424

IUPAC3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C18H28N4O/c23-17(10-9-15-7-3-1-4-8-15)21-16-13-19-18(20-14-16)22-11-5-2-6-12-22/h13-15H,1-12H2,(H,21,23)
InChIKeyGGHLRVYJFPKDKP-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.77
Rot. Bonds5

About 3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide

3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide (PubChem CID 122298424) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide
PubChem CID122298424
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C18H28N4O/c23-17(10-9-15-7-3-1-4-8-15)21-16-13-19-18(20-14-16)22-11-5-2-6-12-22/h13-15H,1-12H2,(H,21,23)
InChIKeyGGHLRVYJFPKDKP-UHFFFAOYSA-N
XLogP3.77
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide (CID 122298424) is 3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide is O=C(CCC1CCCCC1)Nc1cnc(N2CCCCC2)nc1.
What is the InChIKey of 3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide?
The InChIKey is GGHLRVYJFPKDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-17(10-9-15-7-3-1-4-8-15)21-16-13-19-18(20-14-16)22-11-5-2-6-12-22/h13-15H,1-12H2,(H,21,23).
What are the key properties of 3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide?
3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide has a molecular weight of 316.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 122298424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).