N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide

C20H28N2O4 — CID 136534437

IUPACN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)C3COC(C)C3)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-3-25-18-6-4-15(5-7-18)20(24)22-10-8-17(9-11-22)21-19(23)16-12-14(2)26-13-16/h4-7,14,16-17H,3,8-13H2,1-2H3,(H,21,23)
InChIKeyIZERACJNUOAWBH-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.23
Rot. Bonds5

About N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide (PubChem CID 136534437) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide
PubChem CID136534437
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)C3COC(C)C3)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-3-25-18-6-4-15(5-7-18)20(24)22-10-8-17(9-11-22)21-19(23)16-12-14(2)26-13-16/h4-7,14,16-17H,3,8-13H2,1-2H3,(H,21,23)
InChIKeyIZERACJNUOAWBH-UHFFFAOYSA-N
XLogP2.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 119275571
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
4-ethoxy-N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]benzamide
CID 108551873
2-(3-chlorophenoxy)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112804073
3-chloro-N-[2-[[1-(4-ethoxybenzoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 17483579
ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate
CID 108555222
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-4-ethoxybenzamide
CID 108551927
[4-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methylamino]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 129403111

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide?
The IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide (CID 136534437) is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide is CCOc1ccc(C(=O)N2CCC(NC(=O)C3COC(C)C3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide?
The InChIKey is IZERACJNUOAWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-3-25-18-6-4-15(5-7-18)20(24)22-10-8-17(9-11-22)21-19(23)16-12-14(2)26-13-16/h4-7,14,16-17H,3,8-13H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide?
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-methyloxolane-3-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 2.23, 5 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]-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 136534437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).