[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

C19H28N2O3 — CID 72893956

IUPAC[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCOc1cccc(OC2CN(C(=O)C3CCN(C(C)C)CC3)C2)c1
InChIInChI=1S/C19H28N2O3/c1-14(2)20-9-7-15(8-10-20)19(22)21-12-18(13-21)24-17-6-4-5-16(11-17)23-3/h4-6,11,14-15,18H,7-10,12-13H2,1-3H3
InChIKeyHZCMRDJAPAISEN-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.41
Rot. Bonds5

About [3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone

[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (PubChem CID 72893956) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is [3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
PubChem CID72893956
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
SMILESCOc1cccc(OC2CN(C(=O)C3CCN(C(C)C)CC3)C2)c1
InChIInChI=1S/C19H28N2O3/c1-14(2)20-9-7-15(8-10-20)19(22)21-12-18(13-21)24-17-6-4-5-16(11-17)23-3/h4-6,11,14-15,18H,7-10,12-13H2,1-3H3
InChIKeyHZCMRDJAPAISEN-UHFFFAOYSA-N
XLogP2.41
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]acetamide
CID 70729938
2,5-dihydro-1H-pyrrol-2-yl-[3-(3-methoxyphenoxy)azetidin-1-yl]methanone
CID 131890137
[3-(3-ethylphenoxy)azetidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72865427
2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)butanamide
CID 20973241
[3-(3-methylphenoxy)azetidin-1-yl]-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]methanone
CID 125178800
2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 70750140
[3-(3-methoxyphenoxy)azetidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 70744426
(3S)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97113057
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
1-[3-(3-methoxyphenoxy)azetidin-1-yl]-4-phenoxybutan-1-one
CID 70781209
[3-(3-methoxyphenoxy)azetidin-1-yl]-(2-phenylphenyl)methanone
CID 70775085
[3-(3-methylphenoxy)azetidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)methanone
CID 154823366

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone (CID 72893956) is [3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is COc1cccc(OC2CN(C(=O)C3CCN(C(C)C)CC3)C2)c1.
What is the InChIKey of [3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
The InChIKey is HZCMRDJAPAISEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(2)20-9-7-15(8-10-20)19(22)21-12-18(13-21)24-17-6-4-5-16(11-17)23-3/h4-6,11,14-15,18H,7-10,12-13H2,1-3H3.
What are the key properties of [3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone?
[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone has a molecular weight of 332.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 72893956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).