[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone

C16H23NO3 — CID 95352949

IUPAC[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
SMILESCO[C@H]1CCCN(C(=O)c2ccccc2OC(C)C)C1
InChIInChI=1S/C16H23NO3/c1-12(2)20-15-9-5-4-8-14(15)16(18)17-10-6-7-13(11-17)19-3/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3/t13-/m0/s1
InChIKeyZHQWDFDEPRBTIV-ZDUSSCGKSA-N
MW277.36 g/mol
LogP2.72
Rot. Bonds4

About [(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone

[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone (PubChem CID 95352949) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
PubChem CID95352949
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone
SMILESCO[C@H]1CCCN(C(=O)c2ccccc2OC(C)C)C1
InChIInChI=1S/C16H23NO3/c1-12(2)20-15-9-5-4-8-14(15)16(18)17-10-6-7-13(11-17)19-3/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3/t13-/m0/s1
InChIKeyZHQWDFDEPRBTIV-ZDUSSCGKSA-N
XLogP2.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methoxypiperidine-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 119181332
[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95179553
(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 102969309
(3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957626
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
[2-amino-3-(trifluoromethyl)phenyl]-(3-methoxypiperidin-1-yl)methanone
CID 102969287
(2-methoxy-4-propan-2-yloxyphenyl)-(3-phenylpiperidin-1-yl)methanone
CID 138473871
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-methoxyethoxy)phenyl]methanone;hydrochloride
CID 119596410
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
(4-hydroxy-2-methylphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103865425

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of [(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone (CID 95352949) is [(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone is CO[C@H]1CCCN(C(=O)c2ccccc2OC(C)C)C1.
What is the InChIKey of [(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is ZHQWDFDEPRBTIV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)20-15-9-5-4-8-14(15)16(18)17-10-6-7-13(11-17)19-3/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of [(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone?
[(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 277.36 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methoxypiperidin-1-yl]-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 95352949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).