4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide

C23H28N2O2 — CID 25366070

IUPAC4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-15-24-23(26)20-8-10-21(11-9-20)27-22-13-17-25(18-14-22)16-12-19-6-4-3-5-7-19/h2-11,22H,1,12-18H2,(H,24,26)
InChIKeyIKCRXAABNGIJKS-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.69
Rot. Bonds8

About 4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide

4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide (PubChem CID 25366070) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide
PubChem CID25366070
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-15-24-23(26)20-8-10-21(11-9-20)27-22-13-17-25(18-14-22)16-12-19-6-4-3-5-7-19/h2-11,22H,1,12-18H2,(H,24,26)
InChIKeyIKCRXAABNGIJKS-UHFFFAOYSA-N
XLogP3.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.69
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-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25377416
N-(1,1-dioxothiolan-3-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 45207748
4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enyl-N-prop-2-ynylbenzamide
CID 28739164
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 25301725
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide
CID 42527447
N-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 45196587
N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 97284497
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 26328291
methyl 1-[4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzoyl]piperidine-4-carboxylate
CID 25385977
1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
CID 26326622
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 24817526

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide?
The IUPAC name of 4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide (CID 25366070) is 4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide?
The InChIKey is IKCRXAABNGIJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-15-24-23(26)20-8-10-21(11-9-20)27-22-13-17-25(18-14-22)16-12-19-6-4-3-5-7-19/h2-11,22H,1,12-18H2,(H,24,26).
What are the key properties of 4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide?
4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide has a molecular weight of 364.49 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 25366070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).