2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone

C19H26N2O4 — CID 97208983

IUPAC2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@H](C(=O)N2CC(OCc3ccccc3)C2)C1
InChIInChI=1S/C19H26N2O4/c1-24-14-18(22)20-9-5-8-16(10-20)19(23)21-11-17(12-21)25-13-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3/t16-/m0/s1
InChIKeyKHGJORXVALZBGP-INIZCTEOSA-N
MW346.43 g/mol
LogP1.30
Rot. Bonds6

About 2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone

2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 97208983) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID97208983
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@H](C(=O)N2CC(OCc3ccccc3)C2)C1
InChIInChI=1S/C19H26N2O4/c1-24-14-18(22)20-9-5-8-16(10-20)19(23)21-11-17(12-21)25-13-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3/t16-/m0/s1
InChIKeyKHGJORXVALZBGP-INIZCTEOSA-N
XLogP1.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-[(3R)-3-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97149104
1-[(3S)-3-[3-(2-fluorophenoxy)azetidine-1-carbonyl]piperidin-1-yl]-2-methoxyethanone
CID 97187034
1-[3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 72840326
2-methoxy-1-[(3R)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223657
2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223656
1-[(3S)-3-[3-[(2-methylphenyl)methoxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97189789
2-methoxy-1-(3-phenylazepan-1-yl)ethanone
CID 90608413
1-[2-(1-phenylmethoxycarbonylpiperidin-4-yl)oxyacetyl]piperidine-3-carboxylic acid
CID 22611929
1-[(3S)-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)piperidin-1-yl]-2-methoxyethanone
CID 97193702
[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 51927556
cyclopentyl-[3-[(3-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 46028918
benzyl 3-(4-acetylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110678504

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone (CID 97208983) is 2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone is COCC(=O)N1CCC[C@H](C(=O)N2CC(OCc3ccccc3)C2)C1.
What is the InChIKey of 2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is KHGJORXVALZBGP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-24-14-18(22)20-9-5-8-16(10-20)19(23)21-11-17(12-21)25-13-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3/t16-/m0/s1.
What are the key properties of 2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone?
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 346.43 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 97208983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).