1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone

C10H20N2O2 — CID 107222864

IUPAC1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H20N2O2/c1-2-5-11-7-10(14)12-6-3-4-9(13)8-12/h9,11,13H,2-8H2,1H3/t9-/m0/s1
InChIKeyMYDKTIPIZYEDMX-VIFPVBQESA-N
MW200.28 g/mol
LogP-0.03
Rot. Bonds4

About 1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone

1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone (PubChem CID 107222864) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone
PubChem CID107222864
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C10H20N2O2/c1-2-5-11-7-10(14)12-6-3-4-9(13)8-12/h9,11,13H,2-8H2,1H3/t9-/m0/s1
InChIKeyMYDKTIPIZYEDMX-VIFPVBQESA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-2-(propylamino)ethanone
CID 62943798
1-(3-hydroxypiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 60841645
1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone
CID 109005936
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
1-(3-hydroxypiperidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60852155
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 93040618
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
CID 62232255
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
CID 107224919
1-[(3S)-3-hydroxypiperidin-1-yl]-3-propoxypropan-1-one
CID 107224835
(2S)-2-amino-N-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82962160

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone?
The IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone (CID 107222864) is 1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone.
What is the SMILES notation for 1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone?
The canonical SMILES for 1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone is CCCNCC(=O)N1CCC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone?
The InChIKey is MYDKTIPIZYEDMX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-5-11-7-10(14)12-6-3-4-9(13)8-12/h9,11,13H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone?
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone has a molecular weight of 200.28 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypiperidin-1-yl]-2-(propylamino)ethanone is sourced from PubChem (CID 107222864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).