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

C21H28N2O4 — CID 90652723

IUPAC[3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(OC2CN(C(=O)C3CCN(C(=O)C4CCCO4)CC3)C2)cc1
InChIInChI=1S/C21H28N2O4/c1-15-4-6-17(7-5-15)27-18-13-23(14-18)20(24)16-8-10-22(11-9-16)21(25)19-3-2-12-26-19/h4-7,16,18-19H,2-3,8-14H2,1H3
InChIKeyNCKLXIZQFHZBTC-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.00
Rot. Bonds4

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

[3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 90652723) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is [3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
PubChem CID90652723
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
SMILESCc1ccc(OC2CN(C(=O)C3CCN(C(=O)C4CCCO4)CC3)C2)cc1
InChIInChI=1S/C21H28N2O4/c1-15-4-6-17(7-5-15)27-18-13-23(14-18)20(24)16-8-10-22(11-9-16)21(25)19-3-2-12-26-19/h4-7,16,18-19H,2-3,8-14H2,1H3
InChIKeyNCKLXIZQFHZBTC-UHFFFAOYSA-N
XLogP2.00
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

[3-(3-methylphenoxy)azetidin-1-yl]-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]methanone
CID 125178800
[(2R)-oxolan-2-yl]-[4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidin-1-yl]methanone
CID 42190251
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 55330043
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
2,2,2-trifluoro-1-[4-[4-(4-methylphenoxy)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110397098
(3-methylpiperidin-1-yl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 113005814
(4-methylphenyl) oxolane-2-carboxylate
CID 143671181
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 91838125
N-[4-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 90012960
N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]oxyphenyl]-1-pyridin-3-ylpyrrolidine-3-carboxamide
CID 90013117

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone (CID 90652723) is [3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone is Cc1ccc(OC2CN(C(=O)C3CCN(C(=O)C4CCCO4)CC3)C2)cc1.
What is the InChIKey of [3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is NCKLXIZQFHZBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-15-4-6-17(7-5-15)27-18-13-23(14-18)20(24)16-8-10-22(11-9-16)21(25)19-3-2-12-26-19/h4-7,16,18-19H,2-3,8-14H2,1H3.
What are the key properties of [3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone?
[3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenoxy)azetidin-1-yl]-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 90652723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).