N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide

C28H31N3O — CID 10320217

IUPACN-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C/C=C/c2cccnc2)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31N3O/c32-27(30-28(25-11-3-1-4-12-25)26-13-5-2-6-14-26)21-23-15-19-31(20-16-23)18-8-10-24-9-7-17-29-22-24/h1-14,17,22-23,28H,15-16,18-21H2,(H,30,32)/b10-8+
InChIKeyXIORNICUEGQDOQ-CSKARUKUSA-N
MW425.58 g/mol
LogP5.10
Rot. Bonds8

About N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide

N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide (PubChem CID 10320217) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide
PubChem CID10320217
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC NameN-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C/C=C/c2cccnc2)CC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H31N3O/c32-27(30-28(25-11-3-1-4-12-25)26-13-5-2-6-14-26)21-23-15-19-31(20-16-23)18-8-10-24-9-7-17-29-22-24/h1-14,17,22-23,28H,15-16,18-21H2,(H,30,32)/b10-8+
InChIKeyXIORNICUEGQDOQ-CSKARUKUSA-N
XLogP5.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-[1-[(E)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]piperidin-4-yl]acetamide
CID 10435803
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
1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine
CID 10811697
N-benzhydryl-4-[(Z)-3-phenylprop-2-enyl]piperazine-1-carbothioamide
CID 74227364
2-(1-ethylpiperidin-4-yl)-N-[(1S)-3-methyl-1-pyridin-3-ylbutyl]acetamide
CID 97203687
2-(1-ethylpiperidin-4-yl)-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)acetamide
CID 72884358
[4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 755491
[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 2058853
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513
(2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide
CID 131896747

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide (CID 10320217) is N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide is O=C(CC1CCN(C/C=C/c2cccnc2)CC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide?
The InChIKey is XIORNICUEGQDOQ-CSKARUKUSA-N. The full InChI is InChI=1S/C28H31N3O/c32-27(30-28(25-11-3-1-4-12-25)26-13-5-2-6-14-26)21-23-15-19-31(20-16-23)18-8-10-24-9-7-17-29-22-24/h1-14,17,22-23,28H,15-16,18-21H2,(H,30,32)/b10-8+.
What are the key properties of N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide?
N-benzhydryl-2-[1-[(E)-3-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide has a molecular weight of 425.58 g/mol, XLogP of 5.10, 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-pyridin-3-ylprop-2-enyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 10320217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).