N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide

C24H27F3N2O — CID 4689561

IUPACN-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H27F3N2O/c25-24(26,27)20-8-4-7-19(17-20)23(30)29(21-9-10-21)22-12-15-28(16-13-22)14-11-18-5-2-1-3-6-18/h1-8,17,21-22H,9-16H2
InChIKeyBAEVAQDLQBHTAC-UHFFFAOYSA-N
MW416.49 g/mol
LogP5.02
Rot. Bonds6

About N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide

N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide (PubChem CID 4689561) has the molecular formula C24H27F3N2O and a molecular weight of 416.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
PubChem CID4689561
Molecular FormulaC24H27F3N2O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC NameN-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H27F3N2O/c25-24(26,27)20-8-4-7-19(17-20)23(30)29(21-9-10-21)22-12-15-28(16-13-22)14-11-18-5-2-1-3-6-18/h1-8,17,21-22H,9-16H2
InChIKeyBAEVAQDLQBHTAC-UHFFFAOYSA-N
XLogP5.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
CID 45210227
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
CID 42594811
4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 67357875
3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide
CID 20850269
2,2,2-trifluoro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 155907714
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
N-methyl-2-methylsulfanyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]acetamide
CID 25455152
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
N-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 165365115
1-(1-methylindol-3-yl)-3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]prop-2-en-1-one
CID 67881191
N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide
CID 25235462
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 42062876

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide (CID 4689561) is N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide is O=C(c1cccc(C(F)(F)F)c1)N(C1CC1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is BAEVAQDLQBHTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O/c25-24(26,27)20-8-4-7-19(17-20)23(30)29(21-9-10-21)22-12-15-28(16-13-22)14-11-18-5-2-1-3-6-18/h1-8,17,21-22H,9-16H2.
What are the key properties of N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide?
N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 416.49 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(2-phenylethyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 4689561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).