3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide

C18H24N2O3 — CID 110819733

IUPAC3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)C3CCCO3)CC2)c1
InChIInChI=1S/C18H24N2O3/c1-13-4-2-5-14(12-13)17(21)19-15-7-9-20(10-8-15)18(22)16-6-3-11-23-16/h2,4-5,12,15-16H,3,6-11H2,1H3,(H,19,21)
InChIKeyZWJBFUMZFLDOCB-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.89
Rot. Bonds3

About 3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide

3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 110819733) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID110819733
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)C3CCCO3)CC2)c1
InChIInChI=1S/C18H24N2O3/c1-13-4-2-5-14(12-13)17(21)19-15-7-9-20(10-8-15)18(22)16-6-3-11-23-16/h2,4-5,12,15-16H,3,6-11H2,1H3,(H,19,21)
InChIKeyZWJBFUMZFLDOCB-UHFFFAOYSA-N
XLogP1.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819738
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819750
3-methyl-N-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 94797390
3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108555310
[1-(oxolane-2-carbonyl)piperidin-4-yl]carbamic acid
CID 156534121
N-cyclooctyl-3-methylbenzamide
CID 966011
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 3128422
(2R)-N'-(3-methylbenzoyl)oxolane-2-carbohydrazide
CID 7406384
(2R)-N-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94149541
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide (CID 110819733) is 3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide is Cc1cccc(C(=O)NC2CCN(C(=O)C3CCCO3)CC2)c1.
What is the InChIKey of 3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is ZWJBFUMZFLDOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-4-2-5-14(12-13)17(21)19-15-7-9-20(10-8-15)18(22)16-6-3-11-23-16/h2,4-5,12,15-16H,3,6-11H2,1H3,(H,19,21).
What are the key properties of 3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide?
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 316.40 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 110819733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).