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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide
CID 113231839
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide
CID 122298326
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
3-(3,3-difluorocyclobutyl)-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 166259419
3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97271885
3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 46267959

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).