3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide

C19H27F3N4O — CID 91809846

IUPAC3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCc1nc(N2CCC(NC(=O)CCC3CCCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H27F3N4O/c1-13-23-16(19(20,21)22)12-17(24-13)26-10-8-15(9-11-26)25-18(27)7-6-14-4-2-3-5-14/h12,14-15H,2-11H2,1H3,(H,25,27)
InChIKeyLDKMFTSWZYVAEB-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.86
Rot. Bonds5

About 3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide

3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide (PubChem CID 91809846) has the molecular formula C19H27F3N4O and a molecular weight of 384.45 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide
PubChem CID91809846
Molecular FormulaC19H27F3N4O
Molecular Weight384.45 g/mol
Exact Mass384.21
IUPAC Name3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide
SMILESCc1nc(N2CCC(NC(=O)CCC3CCCC3)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H27F3N4O/c1-13-23-16(19(20,21)22)12-17(24-13)26-10-8-15(9-11-26)25-18(27)7-6-14-4-2-3-5-14/h12,14-15H,2-11H2,1H3,(H,25,27)
InChIKeyLDKMFTSWZYVAEB-UHFFFAOYSA-N
XLogP3.86
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-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

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
1-(4-(4-(2-Tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)butyl)-3-(cyclohexylmethyl)urea
CID 44409730
(2S)-2-[[2-(cyclohexylmethylamino)-6-methylpyrimidin-4-yl]amino]-N-cyclopentyl-4-methylpentanamide;2,2,2-trifluoroacetic acid
CID 44528128
N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892455
N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809779
N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809845
N-cyclooctyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809897
Cyclohexyl(4-(6-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 53047578
N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56918316
N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72850778
2-[2-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-4-YL]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72871076
N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 72872940

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide (CID 91809846) is 3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide is Cc1nc(N2CCC(NC(=O)CCC3CCCC3)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide?
The InChIKey is LDKMFTSWZYVAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O/c1-13-23-16(19(20,21)22)12-17(24-13)26-10-8-15(9-11-26)25-18(27)7-6-14-4-2-3-5-14/h12,14-15H,2-11H2,1H3,(H,25,27).
What are the key properties of 3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide?
3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide has a molecular weight of 384.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 91809846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).