1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one

C16H25N3O3 — CID 56893462

IUPAC1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESCN(C)CC1(O)CCCN(C(=O)CCn2ccccc2=O)C1
InChIInChI=1S/C16H25N3O3/c1-17(2)12-16(22)8-5-10-19(13-16)15(21)7-11-18-9-4-3-6-14(18)20/h3-4,6,9,22H,5,7-8,10-13H2,1-2H3
InChIKeyHLOSFUUBQVQUAW-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.15
Rot. Bonds5

About 1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one

1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one (PubChem CID 56893462) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one
PubChem CID56893462
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one
SMILESCN(C)CC1(O)CCCN(C(=O)CCn2ccccc2=O)C1
InChIInChI=1S/C16H25N3O3/c1-17(2)12-16(22)8-5-10-19(13-16)15(21)7-11-18-9-4-3-6-14(18)20/h3-4,6,9,22H,5,7-8,10-13H2,1-2H3
InChIKeyHLOSFUUBQVQUAW-UHFFFAOYSA-N
XLogP0.15
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-{3-[(3S*,4R*)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl}-6-methylpyridin-2(1H)-one
CID 56760575
1-{3-[(3R*,4S*)-4-hydroxy-3,4-dimethyl-1-piperidinyl]-3-oxopropyl}-6-methyl-2(1H)-pyridinone
CID 72863033
1-(3-{4-[(dimethylamino)methyl]-4-hydroxy-1-azepanyl}-3-oxopropyl)-2(1H)-pyridinone
CID 56899021
1-[3-(3-Hydroxypiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 43427929
1-[3-(3-Hydroxy-3-propylazetidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 65927908
N-(2-hydroxy-2,4-dimethylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 66179151
1-[3-(4-Hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 80707274
1-[3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95716900
1-[3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95716901
1-[3-[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-3-oxopropyl]pyridin-2-one
CID 95724240
1-[3-[(4R)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-3-oxopropyl]pyridin-2-one
CID 95724241
N-(2-hydroxy-2-methylpentyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 103713040

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one (CID 56893462) is 1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one is CN(C)CC1(O)CCCN(C(=O)CCn2ccccc2=O)C1.
What is the InChIKey of 1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one?
The InChIKey is HLOSFUUBQVQUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-17(2)12-16(22)8-5-10-19(13-16)15(21)7-11-18-9-4-3-6-14(18)20/h3-4,6,9,22H,5,7-8,10-13H2,1-2H3.
What are the key properties of 1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one?
1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one has a molecular weight of 307.39 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 56893462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).