N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide

C18H26N2O — CID 15407123

IUPACN-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide
SMILESCC(=O)N/C(=C/C(C)C)c1ccccc1N1CCCCC1
InChIInChI=1S/C18H26N2O/c1-14(2)13-17(19-15(3)21)16-9-5-6-10-18(16)20-11-7-4-8-12-20/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,19,21)/b17-13+
InChIKeyCGCRZBDCOLHGQV-GHRIWEEISA-N
MW286.42 g/mol
LogP3.81
Rot. Bonds4

About N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide

N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide (PubChem CID 15407123) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide
PubChem CID15407123
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide
SMILESCC(=O)N/C(=C/C(C)C)c1ccccc1N1CCCCC1
InChIInChI=1S/C18H26N2O/c1-14(2)13-17(19-15(3)21)16-9-5-6-10-18(16)20-11-7-4-8-12-20/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,19,21)/b17-13+
InChIKeyCGCRZBDCOLHGQV-GHRIWEEISA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-pyrrolidin-1-ylbenzoyl chloride
CID 140507858
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
1-(2-piperidin-1-ylphenyl)butan-1-one
CID 10489705
N-[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]acetamide
CID 10589467
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267
3-methylbutyl N-[(2-pyrrolidin-1-ylbenzoyl)amino]carbamate
CID 168514595
N-phenyl-2-pyrrolidin-1-ylbenzamide
CID 168515905
dimethyl (Z)-2-(2-pyrrolidin-1-ylphenyl)but-2-enedioate
CID 12955040
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-[(3R)-3-methyl-4-(2-piperidin-1-ylphenyl)butyl]acetamide
CID 67827033
2-(azepan-1-yl)-N-hydroxy-N'-methylbenzenecarboximidamide
CID 15665421
[2-(methylamino)-3-piperidin-1-ylphenyl]-phenylmethanone
CID 173035941

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide?
The IUPAC name of N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide (CID 15407123) is N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide?
The canonical SMILES for N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide is CC(=O)N/C(=C/C(C)C)c1ccccc1N1CCCCC1.
What is the InChIKey of N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide?
The InChIKey is CGCRZBDCOLHGQV-GHRIWEEISA-N. The full InChI is InChI=1S/C18H26N2O/c1-14(2)13-17(19-15(3)21)16-9-5-6-10-18(16)20-11-7-4-8-12-20/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,19,21)/b17-13+.
What are the key properties of N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide?
N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide has a molecular weight of 286.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methyl-1-(2-piperidin-1-ylphenyl)but-1-enyl]acetamide is sourced from PubChem (CID 15407123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).