(3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone

C19H25NO3 — CID 110394194

IUPAC(3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)C3CCCO3)CC2)cc1C
InChIInChI=1S/C19H25NO3/c1-13-5-6-16(12-14(13)2)18(21)15-7-9-20(10-8-15)19(22)17-4-3-11-23-17/h5-6,12,15,17H,3-4,7-11H2,1-2H3
InChIKeyKZKJVONGIWLFFG-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.90
Rot. Bonds3

About (3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone

(3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 110394194) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
PubChem CID110394194
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)C3CCCO3)CC2)cc1C
InChIInChI=1S/C19H25NO3/c1-13-5-6-16(12-14(13)2)18(21)15-7-9-20(10-8-15)19(22)17-4-3-11-23-17/h5-6,12,15,17H,3-4,7-11H2,1-2H3
InChIKeyKZKJVONGIWLFFG-UHFFFAOYSA-N
XLogP2.90
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
6-[1-[(2R)-oxolane-2-carbonyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 51589221
ethyl 4-(3,4-dimethylbenzoyl)piperidine-1-carboxylate
CID 110394203
2-(3,4-dimethylphenoxy)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108546629
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
oxolan-2-yl-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]methanone
CID 113076272
N,N-dimethyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 110350799
N-(3-chloro-4-methylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 2476720
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
CID 95797532
3-methyl-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819733
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone (CID 110394194) is (3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone is Cc1ccc(C(=O)C2CCN(C(=O)C3CCCO3)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is KZKJVONGIWLFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13-5-6-16(12-14(13)2)18(21)15-7-9-20(10-8-15)19(22)17-4-3-11-23-17/h5-6,12,15,17H,3-4,7-11H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone?
(3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 315.41 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 110394194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).