3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one

C17H24N2O3 — CID 138384043

IUPAC3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCC(C2(O)CC2)CC1
InChIInChI=1S/C17H24N2O3/c1-11-10-12(2)18(3)15(20)14(11)16(21)19-8-4-13(5-9-19)17(22)6-7-17/h10,13,22H,4-9H2,1-3H3
InChIKeyUVQYAOAFIOWSBI-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.38
Rot. Bonds2

About 3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one

3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one (PubChem CID 138384043) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
PubChem CID138384043
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCC(C2(O)CC2)CC1
InChIInChI=1S/C17H24N2O3/c1-11-10-12(2)18(3)15(20)14(11)16(21)19-8-4-13(5-9-19)17(22)6-7-17/h10,13,22H,4-9H2,1-3H3
InChIKeyUVQYAOAFIOWSBI-UHFFFAOYSA-N
XLogP1.38
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
6-ethyl-3-{[(3S*,4R*)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]carbonyl}-1,5-dimethylpyridin-2(1H)-one
CID 133129133
3-({3-[(dimethylamino)methyl]-3-hydroxy-1-piperidinyl}carbonyl)-6-ethyl-1,5-dimethyl-2(1H)-pyridinone
CID 56884040
1-ethyl-3-{[(3S*,4R*)-4-hydroxy-3-isobutyl-4-methylpiperidin-1-yl]carbonyl}-6-methylpyridin-2(1H)-one
CID 56754190
6-ethyl-3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-1,5-dimethylpyridin-2-one
CID 56758360
3-{[(3R*,4R*)-4-cyclopropyl-4-hydroxy-3-methyl-1-piperidinyl]carbonyl}-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one
CID 72889491
3-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
CID 95708645
3-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-6-ethyl-1,5-dimethylpyridin-2-one
CID 95708646
1-Cyclopropyl-4,6-dimethyl-3-(4-methylpiperidine-1-carbonyl)pyridin-2-one
CID 110849097
1-Cyclopropyl-4,6-dimethyl-3-(3-methylpiperidine-1-carbonyl)pyridin-2-one
CID 110856134
1-[3-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 133124676
1-Ethyl-3-(1-ethyl-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4,6-dimethylpyridin-2-one
CID 138380631

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one (CID 138384043) is 3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one is Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC(C2(O)CC2)CC1.
What is the InChIKey of 3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The InChIKey is UVQYAOAFIOWSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-10-12(2)18(3)15(20)14(11)16(21)19-8-4-13(5-9-19)17(22)6-7-17/h10,13,22H,4-9H2,1-3H3.
What are the key properties of 3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 138384043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).