4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide

C17H22N2O4 — CID 51099333

IUPAC4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide
SMILESO=C(NC1CCCNC1=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H22N2O4/c20-16(19-15-4-1-9-18-17(15)21)12-5-7-13(8-6-12)23-11-14-3-2-10-22-14/h5-8,14-15H,1-4,9-11H2,(H,18,21)(H,19,20)
InChIKeyKRHDMDURNUGUSD-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.25
Rot. Bonds5

About 4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide

4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide (PubChem CID 51099333) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide
PubChem CID51099333
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide
SMILESO=C(NC1CCCNC1=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H22N2O4/c20-16(19-15-4-1-9-18-17(15)21)12-5-7-13(8-6-12)23-11-14-3-2-10-22-14/h5-8,14-15H,1-4,9-11H2,(H,18,21)(H,19,20)
InChIKeyKRHDMDURNUGUSD-UHFFFAOYSA-N
XLogP1.25
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
N-(4-methylcyclohexyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2558696
N-(2-oxopiperidin-3-yl)-4-(trifluoromethoxy)benzamide
CID 47086081
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
4-(oxolan-2-ylmethoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461774
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 91641650
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide (CID 51099333) is 4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide is O=C(NC1CCCNC1=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide?
The InChIKey is KRHDMDURNUGUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-16(19-15-4-1-9-18-17(15)21)12-5-7-13(8-6-12)23-11-14-3-2-10-22-14/h5-8,14-15H,1-4,9-11H2,(H,18,21)(H,19,20).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide?
4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide has a molecular weight of 318.37 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-(2-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 51099333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).