1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one

C15H22N2O2 — CID 124628214

IUPAC1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC[C@H](N)C2)c1
InChIInChI=1S/C15H22N2O2/c1-19-14-6-2-4-12(10-14)7-8-15(18)17-9-3-5-13(16)11-17/h2,4,6,10,13H,3,5,7-9,11,16H2,1H3/t13-/m0/s1
InChIKeyGYDUOTWXRSDSQV-ZDUSSCGKSA-N
MW262.35 g/mol
LogP1.58
Rot. Bonds4

About 1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one

1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one (PubChem CID 124628214) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
PubChem CID124628214
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC[C@H](N)C2)c1
InChIInChI=1S/C15H22N2O2/c1-19-14-6-2-4-12(10-14)7-8-15(18)17-9-3-5-13(16)11-17/h2,4,6,10,13H,3,5,7-9,11,16H2,1H3/t13-/m0/s1
InChIKeyGYDUOTWXRSDSQV-ZDUSSCGKSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
1-(3-aminopiperidin-1-yl)-3-(3,5-dimethoxyphenyl)propan-1-one;hydrochloride
CID 119378404
1-(3-aminopiperidin-1-yl)-3-(3-cyclopentyloxyphenyl)propan-1-one;hydrochloride
CID 119381224
methyl 4-[(3S)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-4-oxobutanoate
CID 42558151
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
1-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]pent-4-en-1-one
CID 42455323
1-[3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]pent-4-en-1-one
CID 45243638
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119377862
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119377861
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one (CID 124628214) is 1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one is COc1cccc(CCC(=O)N2CCC[C@H](N)C2)c1.
What is the InChIKey of 1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
The InChIKey is GYDUOTWXRSDSQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-14-6-2-4-12(10-14)7-8-15(18)17-9-3-5-13(16)11-17/h2,4,6,10,13H,3,5,7-9,11,16H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one?
1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-aminopiperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 124628214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).