N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide

C23H26N2O3 — CID 28957115

IUPACN-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide
SMILESC=CCC(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C23H26N2O3/c1-2-7-22(26)25-14-12-20(13-15-25)28-21-11-6-10-19(16-21)23(27)24-17-18-8-4-3-5-9-18/h2-6,8-11,16,20H,1,7,12-15,17H2,(H,24,27)
InChIKeyGZGZVBJIKHWZES-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.56
Rot. Bonds7

About N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide

N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide (PubChem CID 28957115) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide
PubChem CID28957115
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide
SMILESC=CCC(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1
InChIInChI=1S/C23H26N2O3/c1-2-7-22(26)25-14-12-20(13-15-25)28-21-11-6-10-19(16-21)23(27)24-17-18-8-4-3-5-9-18/h2-6,8-11,16,20H,1,7,12-15,17H2,(H,24,27)
InChIKeyGZGZVBJIKHWZES-UHFFFAOYSA-N
XLogP3.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxybenzamide
CID 42526081
N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide
CID 42147497
N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 145485865
3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 45214832
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42098917
3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
CID 118929960
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-ethylhex-5-en-3-yl)benzamide
CID 138751637
N-[5-(benzylcarbamoyl)-1H-pyrazol-3-yl]-4-phenoxypiperidine-1-carboxamide
CID 145485958
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42462930
1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxyphenyl]-3-phenylpropan-1-one
CID 158871162
2-benzyl-N-[[3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]benzamide
CID 69193811

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide (CID 28957115) is N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide is C=CCC(=O)N1CCC(Oc2cccc(C(=O)NCc3ccccc3)c2)CC1.
What is the InChIKey of N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide?
The InChIKey is GZGZVBJIKHWZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-2-7-22(26)25-14-12-20(13-15-25)28-21-11-6-10-19(16-21)23(27)24-17-18-8-4-3-5-9-18/h2-6,8-11,16,20H,1,7,12-15,17H2,(H,24,27).
What are the key properties of N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide?
N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide has a molecular weight of 378.47 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 28957115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).