3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one

C16H24N2O3 — CID 124574968

IUPAC3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCN[C@H]1CCCN(C(=O)CCOc2ccccc2OC)C1
InChIInChI=1S/C16H24N2O3/c1-17-13-6-5-10-18(12-13)16(19)9-11-21-15-8-4-3-7-14(15)20-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3/t13-/m0/s1
InChIKeyWHZQEXMWTCNAOR-ZDUSSCGKSA-N
MW292.38 g/mol
LogP1.67
Rot. Bonds6

About 3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one

3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 124574968) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID124574968
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCN[C@H]1CCCN(C(=O)CCOc2ccccc2OC)C1
InChIInChI=1S/C16H24N2O3/c1-17-13-6-5-10-18(12-13)16(19)9-11-21-15-8-4-3-7-14(15)20-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3/t13-/m0/s1
InChIKeyWHZQEXMWTCNAOR-ZDUSSCGKSA-N
XLogP1.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-aminopiperidin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 124593466
1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 45429307
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
3-(2,4-dimethylphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575300
3-(2,5-dimethylphenoxy)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575112
N-[(3S)-1-[3-(2-methylphenoxy)propanoyl]piperidin-3-yl]methanesulfonamide
CID 97072958
(3S)-4-(2-methoxyphenyl)-3-methyl-1-[(3S)-3-(methylamino)piperidin-1-yl]butan-1-one
CID 124574688
4-(4-methoxyphenoxy)-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119487644
3-(2-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490352
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
3-(2-aminophenoxy)-1-(3-methoxypiperidin-1-yl)propan-1-one
CID 102955034
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenoxy)propan-1-one
CID 95758763

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one (CID 124574968) is 3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one is CN[C@H]1CCCN(C(=O)CCOc2ccccc2OC)C1.
What is the InChIKey of 3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is WHZQEXMWTCNAOR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17-13-6-5-10-18(12-13)16(19)9-11-21-15-8-4-3-7-14(15)20-2/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one?
3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124574968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).