3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide

C16H23N3O3 — CID 124691675

IUPAC3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide
SMILESC[C@H]1C[C@@H](N)CCN1C(=O)CCOc1cccc(C(N)=O)c1
InChIInChI=1S/C16H23N3O3/c1-11-9-13(17)5-7-19(11)15(20)6-8-22-14-4-2-3-12(10-14)16(18)21/h2-4,10-11,13H,5-9,17H2,1H3,(H2,18,21)/t11-,13-/m0/s1
InChIKeyJZICMTAEMMKZQS-AAEUAGOBSA-N
MW305.38 g/mol
LogP0.89
Rot. Bonds5

About 3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide

3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide (PubChem CID 124691675) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide
PubChem CID124691675
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide
SMILESC[C@H]1C[C@@H](N)CCN1C(=O)CCOc1cccc(C(N)=O)c1
InChIInChI=1S/C16H23N3O3/c1-11-9-13(17)5-7-19(11)15(20)6-8-22-14-4-2-3-12(10-14)16(18)21/h2-4,10-11,13H,5-9,17H2,1H3,(H2,18,21)/t11-,13-/m0/s1
InChIKeyJZICMTAEMMKZQS-AAEUAGOBSA-N
XLogP0.89
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(3-chlorophenoxy)propan-1-one
CID 124693823
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 124691222
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 124687501
3-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-3-oxopropoxy]benzamide
CID 120819165
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone
CID 124689447
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone
CID 124691389
1-(4-amino-2-methylpiperidin-1-yl)-3-(2,3-dichlorophenoxy)propan-1-one
CID 122149230
1-[3-(3-carbamoylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 119349211
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 124689317
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-(2-bromo-4-methylphenoxy)propan-1-one
CID 124691665
(4-amino-2-methylpiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 122149100
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124691848

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide?
The IUPAC name of 3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide (CID 124691675) is 3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide.
What is the SMILES notation for 3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide?
The canonical SMILES for 3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide is C[C@H]1C[C@@H](N)CCN1C(=O)CCOc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide?
The InChIKey is JZICMTAEMMKZQS-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-9-13(17)5-7-19(11)15(20)6-8-22-14-4-2-3-12(10-14)16(18)21/h2-4,10-11,13H,5-9,17H2,1H3,(H2,18,21)/t11-,13-/m0/s1.
What are the key properties of 3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide?
3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide has a molecular weight of 305.38 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-3-oxopropoxy]benzamide is sourced from PubChem (CID 124691675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).