N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide

C20H28N2O6 — CID 108555226

IUPACN-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)C3CCCO3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H28N2O6/c1-25-16-11-13(12-17(26-2)18(16)27-3)20(24)22-8-6-14(7-9-22)21-19(23)15-5-4-10-28-15/h11-12,14-15H,4-10H2,1-3H3,(H,21,23)
InChIKeyHFKCJMNQNRIHBX-UHFFFAOYSA-N
MW392.45 g/mol
LogP1.61
Rot. Bonds6

About N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide

N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 108555226) has the molecular formula C20H28N2O6 and a molecular weight of 392.45 g/mol. Its IUPAC name is N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide
PubChem CID108555226
Molecular FormulaC20H28N2O6
Molecular Weight392.45 g/mol
Exact Mass392.19
IUPAC NameN-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide
SMILESCOc1cc(C(=O)N2CCC(NC(=O)C3CCCO3)CC2)cc(OC)c1OC
InChIInChI=1S/C20H28N2O6/c1-25-16-11-13(12-17(26-2)18(16)27-3)20(24)22-8-6-14(7-9-22)21-19(23)15-5-4-10-28-15/h11-12,14-15H,4-10H2,1-3H3,(H,21,23)
InChIKeyHFKCJMNQNRIHBX-UHFFFAOYSA-N
XLogP1.61
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide
CID 108555299
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
CID 38197318
N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126025662
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108557899
3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108558250
ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate
CID 108555222
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide (CID 108555226) is N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide is COc1cc(C(=O)N2CCC(NC(=O)C3CCCO3)CC2)cc(OC)c1OC.
What is the InChIKey of N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is HFKCJMNQNRIHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6/c1-25-16-11-13(12-17(26-2)18(16)27-3)20(24)22-8-6-14(7-9-22)21-19(23)15-5-4-10-28-15/h11-12,14-15H,4-10H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide?
N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 108555226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).