cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone

C18H23F3N2O — CID 96513611

IUPACcyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H23F3N2O/c1-12-11-23(17(24)14-5-6-14)8-7-16(12)22-10-13-3-2-4-15(9-13)18(19,20)21/h2-4,9,12,14,16,22H,5-8,10-11H2,1H3/t12-,16-/m1/s1
InChIKeyNXAHOXHEWKZTLZ-MLGOLLRUSA-N
MW340.39 g/mol
LogP3.44
Rot. Bonds4

About cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone

cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone (PubChem CID 96513611) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone
PubChem CID96513611
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Namecyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone
SMILESC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H23F3N2O/c1-12-11-23(17(24)14-5-6-14)8-7-16(12)22-10-13-3-2-4-15(9-13)18(19,20)21/h2-4,9,12,14,16,22H,5-8,10-11H2,1H3/t12-,16-/m1/s1
InChIKeyNXAHOXHEWKZTLZ-MLGOLLRUSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3S,4R)-4-[(4-chloro-3-fluorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513568
cyclopropyl-[(3S,4R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-methylpiperidin-1-yl]methanone
CID 97024600
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
[(3R,4S)-4-[(2-chlorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513589
1-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methylpiperidin-1-yl]propan-1-one
CID 71927533
cyclopropyl-[(3R,4R)-4-[(3-ethoxy-4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]methanone
CID 97029688
cyclopropyl-[(3R,4R)-3-methyl-4-[(4-propoxyphenyl)methylamino]piperidin-1-yl]methanone
CID 97027957
methyl (3S,4R)-4-(benzylamino)-3-methylpiperidine-1-carboxylate
CID 58075022
2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 51274160
cyclopropyl-[3-methyl-4-(3-phenylprop-2-enylamino)piperidin-1-yl]methanone
CID 71927484
1-N,2-N-bis[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1,2-diamine;dihydrochloride
CID 51040821
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone (CID 96513611) is cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone is C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone?
The InChIKey is NXAHOXHEWKZTLZ-MLGOLLRUSA-N. The full InChI is InChI=1S/C18H23F3N2O/c1-12-11-23(17(24)14-5-6-14)8-7-16(12)22-10-13-3-2-4-15(9-13)18(19,20)21/h2-4,9,12,14,16,22H,5-8,10-11H2,1H3/t12-,16-/m1/s1.
What are the key properties of cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone?
cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone has a molecular weight of 340.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R,4R)-3-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 96513611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).