1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one

C17H26N2O2 — CID 56875991

IUPAC1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one
SMILESCO[C@H]1CN(C(=O)CCCCc2ccccc2)CC[C@H]1N
InChIInChI=1S/C17H26N2O2/c1-21-16-13-19(12-11-15(16)18)17(20)10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13,18H2,1H3/t15-,16+/m1/s1
InChIKeyUKRDJYLUVDZKFU-CVEARBPZSA-N
MW290.41 g/mol
LogP1.97
Rot. Bonds6

About 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one

1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one (PubChem CID 56875991) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one
PubChem CID56875991
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one
SMILESCO[C@H]1CN(C(=O)CCCCc2ccccc2)CC[C@H]1N
InChIInChI=1S/C17H26N2O2/c1-21-16-13-19(12-11-15(16)18)17(20)10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13,18H2,1H3/t15-,16+/m1/s1
InChIKeyUKRDJYLUVDZKFU-CVEARBPZSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 77271966
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 56861948
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56872537
1-[3-(ethoxymethyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110416532
(4aS,8aR)-1-(2-aminoethyl)-6-(5-phenylpentanoyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one;hydrochloride
CID 154885976
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one
CID 63753831
(3S)-1-[5-(4-methylphenyl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 124696647
1-(4-chloro-3-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 114683070
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-9-phenylnonane-1,5-dione
CID 153011758
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-5-phenylpentan-1-one
CID 134697771

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one?
The IUPAC name of 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one (CID 56875991) is 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one.
What is the SMILES notation for 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one?
The canonical SMILES for 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one is CO[C@H]1CN(C(=O)CCCCc2ccccc2)CC[C@H]1N.
What is the InChIKey of 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one?
The InChIKey is UKRDJYLUVDZKFU-CVEARBPZSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-16-13-19(12-11-15(16)18)17(20)10-6-5-9-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13,18H2,1H3/t15-,16+/m1/s1.
What are the key properties of 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one?
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one has a molecular weight of 290.41 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one is sourced from PubChem (CID 56875991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).