N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide

C19H26F3N5O — CID 56871775

IUPACN-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C2CCN(c3nccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C19H26F3N5O/c20-19(21,22)16-5-8-23-18(25-16)26-10-6-15(7-11-26)27-9-1-2-13(12-27)17(28)24-14-3-4-14/h5,8,13-15H,1-4,6-7,9-12H2,(H,24,28)
InChIKeyLEKIODGLFLFGIP-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.45
Rot. Bonds4

About N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56871775) has the molecular formula C19H26F3N5O and a molecular weight of 397.45 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56871775
Molecular FormulaC19H26F3N5O
Molecular Weight397.45 g/mol
Exact Mass397.21
IUPAC NameN-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(C2CCN(c3nccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C19H26F3N5O/c20-19(21,22)16-5-8-23-18(25-16)26-10-6-15(7-11-26)27-9-1-2-13(12-27)17(28)24-14-3-4-14/h5,8,13-15H,1-4,6-7,9-12H2,(H,24,28)
InChIKeyLEKIODGLFLFGIP-UHFFFAOYSA-N
XLogP2.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide 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

N-cyclopropyl-1-(4-methyl-2-pyrimidinyl)-3-piperidinecarboxamide
CID 24792325
US9624218, Example 16
CID 138374302
1-(4-Methyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cycloheptylamide
CID 646431
N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809779
1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 2777795
N-tert-butyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxamide
CID 2796053
[5-(Trifluoromethyl)-2,3-dihydro-1,4-diazepin-1-yl]-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
CID 2810209
1-Cyclohexyl-3-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]urea
CID 2810981
(4aS*,8aR*)-1-[2-(methylamino)ethyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]octahydro-1,6-naphthyridin-2(1H)-one
CID 56882488
2-Allyl-9-[4-(trifluoromethyl)pyrimidin-2-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70710344
N~1~-{rel-(3R,4S)-4-cyclopropyl-1-[4-(trifluoromethyl)-2-pyrimidinyl]-3-pyrrolidinyl}glycinamide hydrochloride
CID 72856353
7-Isopropyl-2-[4-(trifluoromethyl)pyrimidin-2-YL]-2,7-diazaspiro[4.5]decan-6-one
CID 72871782

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide (CID 56871775) is N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(C2CCN(c3nccc(C(F)(F)F)n3)CC2)C1.
What is the InChIKey of N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is LEKIODGLFLFGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N5O/c20-19(21,22)16-5-8-23-18(25-16)26-10-6-15(7-11-26)27-9-1-2-13(12-27)17(28)24-14-3-4-14/h5,8,13-15H,1-4,6-7,9-12H2,(H,24,28).
What are the key properties of N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56871775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).