N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide

C29H30F3N3O — CID 10435803

IUPACN-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C/C=C/c2ccc(C(F)(F)F)nc2)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30F3N3O/c30-29(31,32)26-14-13-23(21-33-26)8-7-17-35-18-15-22(16-19-35)20-27(36)34-28(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-14,21-22,28H,15-20H2,(H,34,36)/b8-7+
InChIKeyJOWSKUMKBBGNST-BQYQJAHWSA-N
MW493.57 g/mol
LogP6.12
Rot. Bonds8

About N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide

N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide (PubChem CID 10435803) has the molecular formula C29H30F3N3O and a molecular weight of 493.57 g/mol. Its IUPAC name is N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide
PubChem CID10435803
Molecular FormulaC29H30F3N3O
Molecular Weight493.57 g/mol
Exact Mass493.23
IUPAC NameN-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C/C=C/c2ccc(C(F)(F)F)nc2)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H30F3N3O/c30-29(31,32)26-14-13-23(21-33-26)8-7-17-35-18-15-22(16-19-35)20-27(36)34-28(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-14,21-22,28H,15-20H2,(H,34,36)/b8-7+
InChIKeyJOWSKUMKBBGNST-BQYQJAHWSA-N
XLogP6.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide
CID 10320217
N-benzhydryl-2-[1-[(E)-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]prop-2-enyl]piperidin-4-yl]acetamide
CID 10076291
2-(1-ethylpiperidin-4-yl)-N-[phenyl(pyridin-4-yl)methyl]acetamide
CID 72915989
N-benzhydryl-2-[1-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-4-yl]acetamide
CID 10478310
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
N-benzhydryl-4-[(Z)-3-phenylprop-2-enyl]piperazine-1-carbothioamide
CID 74227364
N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide
CID 10344048
4-[2-(3,4-dichlorophenoxy)ethyl]-1-[(E)-3-phenylprop-2-enyl]piperidine;oxalic acid
CID 70054801
(2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide
CID 131896747
2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide
CID 72884358
N-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
CID 169473945
3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 2783389

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide (CID 10435803) is N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide is O=C(CC1CCN(C/C=C/c2ccc(C(F)(F)F)nc2)CC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide?
The InChIKey is JOWSKUMKBBGNST-BQYQJAHWSA-N. The full InChI is InChI=1S/C29H30F3N3O/c30-29(31,32)26-14-13-23(21-33-26)8-7-17-35-18-15-22(16-19-35)20-27(36)34-28(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-14,21-22,28H,15-20H2,(H,34,36)/b8-7+.
What are the key properties of N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide?
N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide has a molecular weight of 493.57 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 10435803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).