4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide

C25H30N2O3 — CID 25395722

IUPAC4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C25H30N2O3/c28-24(26-16-4-7-19-5-2-1-3-6-19)20-10-12-22(13-11-20)30-23-14-17-27(18-15-23)25(29)21-8-9-21/h1-3,5-6,10-13,21,23H,4,7-9,14-18H2,(H,26,28)
InChIKeyAPZOLJPWWXZAOG-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.83
Rot. Bonds8

About 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide (PubChem CID 25395722) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
PubChem CID25395722
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C25H30N2O3/c28-24(26-16-4-7-19-5-2-1-3-6-19)20-10-12-22(13-11-20)30-23-14-17-27(18-15-23)25(29)21-8-9-21/h1-3,5-6,10-13,21,23H,4,7-9,14-18H2,(H,26,28)
InChIKeyAPZOLJPWWXZAOG-UHFFFAOYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 45236126
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 72886728
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30921211
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
4-(1-but-2-ynoylpiperidin-4-yl)oxy-N-(2-phenylethyl)benzamide
CID 25461365
N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 30920617
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 42241527
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(3-phenylpropyl)urea
CID 72840637
N'-methyl-4-phenoxy-N-(3-phenylpropyl)piperidine-1-carboximidamide
CID 109427767
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-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide?
The IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide (CID 25395722) is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide?
The InChIKey is APZOLJPWWXZAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-24(26-16-4-7-19-5-2-1-3-6-19)20-10-12-22(13-11-20)30-23-14-17-27(18-15-23)25(29)21-8-9-21/h1-3,5-6,10-13,21,23H,4,7-9,14-18H2,(H,26,28).
What are the key properties of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide?
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide has a molecular weight of 406.53 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 25395722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).