[(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid

C17H24F3N5O2 — CID 71226815

IUPAC[(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCC[C@H]1N[C@H]1CCCN(c2cnc(C(F)(F)F)nc2)C1
InChIInChI=1S/C17H24F3N5O2/c18-17(19,20)15-21-8-12(9-22-15)25-7-3-4-11(10-25)23-13-5-1-2-6-14(13)24-16(26)27/h8-9,11,13-14,23-24H,1-7,10H2,(H,26,27)/t11-,13+,14+/m0/s1
InChIKeyGIPRLYYFGSTELY-IACUBPJLSA-N
MW387.41 g/mol
LogP2.63
Rot. Bonds4

About [(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid

[(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid (PubChem CID 71226815) has the molecular formula C17H24F3N5O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is [(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid
PubChem CID71226815
Molecular FormulaC17H24F3N5O2
Molecular Weight387.41 g/mol
Exact Mass387.19
IUPAC Name[(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCC[C@H]1N[C@H]1CCCN(c2cnc(C(F)(F)F)nc2)C1
InChIInChI=1S/C17H24F3N5O2/c18-17(19,20)15-21-8-12(9-22-15)25-7-3-4-11(10-25)23-13-5-1-2-6-14(13)24-16(26)27/h8-9,11,13-14,23-24H,1-7,10H2,(H,26,27)/t11-,13+,14+/m0/s1
InChIKeyGIPRLYYFGSTELY-IACUBPJLSA-N
XLogP2.63
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid 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

[(3R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrrolidin-3-yl]carbamic acid
CID 155168148
N-cyclopropyl-3-[2-[[2-[[1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]benzamide
CID 123933591
2-[[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]pyridine-4-carboxylic acid
CID 78043391
1-(4-chlorophenyl)-3-[(1R,2R)-2-[[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]urea
CID 71235640
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-[[1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]urea
CID 123268230
benzyl N-[2-[[1-(4-methylphenyl)piperidin-3-yl]amino]cyclohexyl]carbamate
CID 123991953
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]carbamic acid
CID 135281348
N-cyclopentyl-3-[2-[[(1R,2R)-2-[[(3S)-1-[4-(trifluoromethyl)phenyl]piperidin-3-yl]amino]cyclohexyl]amino]-4-pyridinyl]benzamide
CID 71233152
1-methyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 171993484
methyl N-[3-[2-[[(1R,2R)-2-[[(3S)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]amino]cyclohexyl]amino]-1,3-oxazol-5-yl]phenyl]carbamate
CID 71233391
(3S)-N-cyclohexyl-1-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 58585895

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid?
The IUPAC name of [(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid (CID 71226815) is [(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid.
What is the SMILES notation for [(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid?
The canonical SMILES for [(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid is O=C(O)N[C@@H]1CCCC[C@H]1N[C@H]1CCCN(c2cnc(C(F)(F)F)nc2)C1.
What is the InChIKey of [(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid?
The InChIKey is GIPRLYYFGSTELY-IACUBPJLSA-N. The full InChI is InChI=1S/C17H24F3N5O2/c18-17(19,20)15-21-8-12(9-22-15)25-7-3-4-11(10-25)23-13-5-1-2-6-14(13)24-16(26)27/h8-9,11,13-14,23-24H,1-7,10H2,(H,26,27)/t11-,13+,14+/m0/s1.
What are the key properties of [(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid?
[(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid has a molecular weight of 387.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[[(3S)-1-[2-(trifluoromethyl)pyrimidin-5-yl]piperidin-3-yl]amino]cyclohexyl]carbamic acid is sourced from PubChem (CID 71226815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).