3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C25H29F3N2O — CID 25461302

IUPAC3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1CCN(C2Cc3ccccc3C2)CC1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H29F3N2O/c26-25(27,28)22-7-3-4-19(14-22)17-29-24(31)9-8-18-10-12-30(13-11-18)23-15-20-5-1-2-6-21(20)16-23/h1-7,14,18,23H,8-13,15-17H2,(H,29,31)
InChIKeyVQAMTHADGOAKNQ-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.98
Rot. Bonds6

About 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 25461302) has the molecular formula C25H29F3N2O and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID25461302
Molecular FormulaC25H29F3N2O
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Name3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCC1CCN(C2Cc3ccccc3C2)CC1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H29F3N2O/c26-25(27,28)22-7-3-4-19(14-22)17-29-24(31)9-8-18-10-12-30(13-11-18)23-15-20-5-1-2-6-21(20)16-23/h1-7,14,18,23H,8-13,15-17H2,(H,29,31)
InChIKeyVQAMTHADGOAKNQ-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42525374
3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42191490
3-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 42240852
3-(cyclopropylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 60842789
N-[(3-chlorophenyl)methyl]-3-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]propanamide
CID 42507954
N'-(2-methoxyethyl)-N'-(1-methylpiperidin-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanediamide
CID 5017924
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-(2,3-dihydro-1H-inden-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 86955297
N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
CID 46450428
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
3-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100765319
N-benzyl-2-(1-cyclopropylpiperidin-4-yl)acetamide
CID 110754741

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 25461302) is 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCC1CCN(C2Cc3ccccc3C2)CC1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is VQAMTHADGOAKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2O/c26-25(27,28)22-7-3-4-19(14-22)17-29-24(31)9-8-18-10-12-30(13-11-18)23-15-20-5-1-2-6-21(20)16-23/h1-7,14,18,23H,8-13,15-17H2,(H,29,31).
What are the key properties of 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 430.51 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 25461302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).