1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one

C20H28N2O3 — CID 72840326

IUPAC1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(C(=O)N2CC(OCc3ccccc3C)C2)C1
InChIInChI=1S/C20H28N2O3/c1-3-19(23)21-10-6-9-16(11-21)20(24)22-12-18(13-22)25-14-17-8-5-4-7-15(17)2/h4-5,7-8,16,18H,3,6,9-14H2,1-2H3
InChIKeyAGOWSXLVYVHOPO-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.37
Rot. Bonds5

About 1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one

1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one (PubChem CID 72840326) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
PubChem CID72840326
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(C(=O)N2CC(OCc3ccccc3C)C2)C1
InChIInChI=1S/C20H28N2O3/c1-3-19(23)21-10-6-9-16(11-21)20(24)22-12-18(13-22)25-14-17-8-5-4-7-15(17)2/h4-5,7-8,16,18H,3,6,9-14H2,1-2H3
InChIKeyAGOWSXLVYVHOPO-UHFFFAOYSA-N
XLogP2.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97189789
1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223488
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
CID 97208983
cyclopropyl-[(3S)-3-[3-[(2-methylphenyl)methyl]azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97041610
1-[(3R)-3-[3-(3-methylphenoxy)azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 97202927
methyl 1-[2-(2-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919146
1-[2-[3-[(2-methylphenyl)methoxy]azetidin-1-yl]-2-oxoethyl]azepan-2-one
CID 72842921
N-(2-ethyl-6-methylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527195
1-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55813432
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
(5R)-1-ethyl-5-[3-[(2-fluorophenyl)methoxy]azetidine-1-carbonyl]piperidin-2-one
CID 97143515
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one (CID 72840326) is 1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(C(=O)N2CC(OCc3ccccc3C)C2)C1.
What is the InChIKey of 1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one?
The InChIKey is AGOWSXLVYVHOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-19(23)21-10-6-9-16(11-21)20(24)22-12-18(13-22)25-14-17-8-5-4-7-15(17)2/h4-5,7-8,16,18H,3,6,9-14H2,1-2H3.
What are the key properties of 1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one?
1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one has a molecular weight of 344.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 72840326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).