4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C17H26N2O3 — CID 133120517

IUPAC4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCC(C)C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)CC[C@]1(C)O
InChIInChI=1S/C17H26N2O3/c1-12(2)9-14-11-19(8-6-17(14,3)22)16(21)13-5-7-18(4)15(20)10-13/h5,7,10,12,14,22H,6,8-9,11H2,1-4H3/t14-,17+/m1/s1
InChIKeyNHMVAZVOXUTNMZ-PBHICJAKSA-N
MW306.41 g/mol
LogP1.64
Rot. Bonds3

About 4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 133120517) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID133120517
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCC(C)C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)CC[C@]1(C)O
InChIInChI=1S/C17H26N2O3/c1-12(2)9-14-11-19(8-6-17(14,3)22)16(21)13-5-7-18(4)15(20)10-13/h5,7,10,12,14,22H,6,8-9,11H2,1-4H3/t14-,17+/m1/s1
InChIKeyNHMVAZVOXUTNMZ-PBHICJAKSA-N
XLogP1.64
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 56902436
4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 79411364
4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 103709456
4-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)-1-methylpyridin-2-one
CID 107300658
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793684
4-(3-ethoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 47736704
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64605969
4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113263748
1-methyl-4-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyridin-2-one
CID 102737698
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
1-methyl-4-[4-(methylamino)piperidine-1-carbonyl]pyridin-2-one
CID 113263745

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 133120517) is 4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is CC(C)C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)CC[C@]1(C)O.
What is the InChIKey of 4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is NHMVAZVOXUTNMZ-PBHICJAKSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)9-14-11-19(8-6-17(14,3)22)16(21)13-5-7-18(4)15(20)10-13/h5,7,10,12,14,22H,6,8-9,11H2,1-4H3/t14-,17+/m1/s1.
What are the key properties of 4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4S)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 133120517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).