4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide

C25H30N2O4 — CID 45236126

IUPAC4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)C3CCOC3)CC2)cc1
InChIInChI=1S/C25H30N2O4/c28-24(26-14-10-19-4-2-1-3-5-19)20-6-8-22(9-7-20)31-23-11-15-27(16-12-23)25(29)21-13-17-30-18-21/h1-9,21,23H,10-18H2,(H,26,28)
InChIKeyBADXXPWFCKMUKO-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.07
Rot. Bonds7

About 4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide

4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide (PubChem CID 45236126) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
PubChem CID45236126
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)C3CCOC3)CC2)cc1
InChIInChI=1S/C25H30N2O4/c28-24(26-14-10-19-4-2-1-3-5-19)20-6-8-22(9-7-20)31-23-11-15-27(16-12-23)25(29)21-13-17-30-18-21/h1-9,21,23H,10-18H2,(H,26,28)
InChIKeyBADXXPWFCKMUKO-UHFFFAOYSA-N
XLogP3.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide
CID 25461365
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229
3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 45214832
[(3S)-oxolan-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 95272421
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30921211
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 30920617
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-methyl-N-(oxolan-3-yl)benzamide
CID 45200875
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 42241527
4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide
CID 25366070

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide (CID 45236126) is 4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccc(OC2CCN(C(=O)C3CCOC3)CC2)cc1.
What is the InChIKey of 4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide?
The InChIKey is BADXXPWFCKMUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c28-24(26-14-10-19-4-2-1-3-5-19)20-6-8-22(9-7-20)31-23-11-15-27(16-12-23)25(29)21-13-17-30-18-21/h1-9,21,23H,10-18H2,(H,26,28).
What are the key properties of 4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide?
4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide has a molecular weight of 422.53 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 45236126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).