2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide

C18H23F3N2O — CID 118297906

IUPAC2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
SMILESCC1(CN(C(=O)C(F)(F)F)[C@@H]2CC2c2ccccc2)CCNCC1
InChIInChI=1S/C18H23F3N2O/c1-17(7-9-22-10-8-17)12-23(16(24)18(19,20)21)15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,22H,7-12H2,1H3/t14?,15-/m1/s1
InChIKeyXUXJKVYDPVBQDW-YSSOQSIOSA-N
MW340.39 g/mol
LogP3.32
Rot. Bonds4

About 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide

2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide (PubChem CID 118297906) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
PubChem CID118297906
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
SMILESCC1(CN(C(=O)C(F)(F)F)[C@@H]2CC2c2ccccc2)CCNCC1
InChIInChI=1S/C18H23F3N2O/c1-17(7-9-22-10-8-17)12-23(16(24)18(19,20)21)15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,22H,7-12H2,1H3/t14?,15-/m1/s1
InChIKeyXUXJKVYDPVBQDW-YSSOQSIOSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 118290147
2,2,2-trifluoro-N-[[4-[(3-hydroxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide;hydrochloride
CID 118290291
N-[[4-[(3-cyanophenyl)methyl]piperidin-4-yl]methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 118290175
N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 137422504
N-[(4-amino-1-fluorocyclohexyl)methyl]-2,2,2-trifluoro-N-(2-phenylcyclopropyl)acetamide;hydrochloride
CID 155277847
N-(azetidin-3-ylmethyl)-2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide;2,2,2-trifluoroacetic acid
CID 131743401
2,2,2-trifluoro-N-(morpholin-2-ylmethyl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 86708274
2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 164737051
N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide
CID 118297691
2,2,2-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]-N-(2-phenylcyclopropyl)acetamide
CID 88962081
2,2,2-trifluoro-N-[[4-(methoxymethyl)-1-(morpholine-4-carbonyl)piperidin-4-yl]methyl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 118290237
2,2,2-trifluoro-N-[(2R)-2-(4-iodophenyl)cyclopropyl]-N-(piperidin-4-ylmethyl)acetamide
CID 138722911

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide (CID 118297906) is 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide is CC1(CN(C(=O)C(F)(F)F)[C@@H]2CC2c2ccccc2)CCNCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide?
The InChIKey is XUXJKVYDPVBQDW-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H23F3N2O/c1-17(7-9-22-10-8-17)12-23(16(24)18(19,20)21)15-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,22H,7-12H2,1H3/t14?,15-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide?
2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide has a molecular weight of 340.39 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methylpiperidin-4-yl)methyl]-N-[(1R)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 118297906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).