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

C18H23NO4 — CID 110394676

IUPAC(4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)C3CCCO3)C2)cc1
InChIInChI=1S/C18H23NO4/c1-22-15-8-6-13(7-9-15)17(20)14-4-2-10-19(12-14)18(21)16-5-3-11-23-16/h6-9,14,16H,2-5,10-12H2,1H3
InChIKeyVZNULPKXBLUKQW-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.30
Rot. Bonds4

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

(4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 110394676) has the molecular formula C18H23NO4 and a molecular weight of 317.38 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone
PubChem CID110394676
Molecular FormulaC18H23NO4
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)C3CCCO3)C2)cc1
InChIInChI=1S/C18H23NO4/c1-22-15-8-6-13(7-9-15)17(20)14-4-2-10-19(12-14)18(21)16-5-3-11-23-16/h6-9,14,16H,2-5,10-12H2,1H3
InChIKeyVZNULPKXBLUKQW-UHFFFAOYSA-N
XLogP2.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394724
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
N-[(4-methoxyphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
CID 3309593
(4-methoxyphenyl)-[(3S)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95791894
4-[[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097980
cyclohexyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146925
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 91946535
[(3S)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95097684

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone (CID 110394676) is (4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone is COc1ccc(C(=O)C2CCCN(C(=O)C3CCCO3)C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is VZNULPKXBLUKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-22-15-8-6-13(7-9-15)17(20)14-4-2-10-19(12-14)18(21)16-5-3-11-23-16/h6-9,14,16H,2-5,10-12H2,1H3.
What are the key properties of (4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone?
(4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 317.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-(oxolane-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 110394676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).