N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide

C26H32N2O4 — CID 112822610

IUPACN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)C3(c4ccccc4)CCOCC3)CC2)cc1
InChIInChI=1S/C26H32N2O4/c1-2-32-23-10-8-20(9-11-23)24(29)28-16-12-22(13-17-28)27-25(30)26(14-18-31-19-15-26)21-6-4-3-5-7-21/h3-11,22H,2,12-19H2,1H3,(H,27,30)
InChIKeyHWFLTJRWWACARW-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.55
Rot. Bonds6

About N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide (PubChem CID 112822610) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide
PubChem CID112822610
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)C3(c4ccccc4)CCOCC3)CC2)cc1
InChIInChI=1S/C26H32N2O4/c1-2-32-23-10-8-20(9-11-23)24(29)28-16-12-22(13-17-28)27-25(30)26(14-18-31-19-15-26)21-6-4-3-5-7-21/h3-11,22H,2,12-19H2,1H3,(H,27,30)
InChIKeyHWFLTJRWWACARW-UHFFFAOYSA-N
XLogP3.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-4-phenyloxane-4-carboxamide
CID 55979610
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103
4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide
CID 166190743
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
CID 112804050
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
N-cyclopentyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carboxamide
CID 68577879
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112838965

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide (CID 112822610) is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide is CCOc1ccc(C(=O)N2CCC(NC(=O)C3(c4ccccc4)CCOCC3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide?
The InChIKey is HWFLTJRWWACARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-2-32-23-10-8-20(9-11-23)24(29)28-16-12-22(13-17-28)27-25(30)26(14-18-31-19-15-26)21-6-4-3-5-7-21/h3-11,22H,2,12-19H2,1H3,(H,27,30).
What are the key properties of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide?
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 112822610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).