4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one

C20H26N2O4 — CID 134701632

IUPAC4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
SMILESCCC[C@]1(CO)CN(C(=O)c2cc(=O)[nH]c3ccc(C)cc23)CC[C@H]1O
InChIInChI=1S/C20H26N2O4/c1-3-7-20(12-23)11-22(8-6-17(20)24)19(26)15-10-18(25)21-16-5-4-13(2)9-14(15)16/h4-5,9-10,17,23-24H,3,6-8,11-12H2,1-2H3,(H,21,25)/t17-,20-/m1/s1
InChIKeyMYORJDCRGZMPNL-YLJYHZDGSA-N
MW358.44 g/mol
LogP1.82
Rot. Bonds4

About 4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one

4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one (PubChem CID 134701632) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
PubChem CID134701632
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
SMILESCCC[C@]1(CO)CN(C(=O)c2cc(=O)[nH]c3ccc(C)cc23)CC[C@H]1O
InChIInChI=1S/C20H26N2O4/c1-3-7-20(12-23)11-22(8-6-17(20)24)19(26)15-10-18(25)21-16-5-4-13(2)9-14(15)16/h4-5,9-10,17,23-24H,3,6-8,11-12H2,1-2H3,(H,21,25)/t17-,20-/m1/s1
InChIKeyMYORJDCRGZMPNL-YLJYHZDGSA-N
XLogP1.82
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 155918250
4-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 155910949
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 155505171
(3-fluoro-5-methylphenyl)-[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155499155
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-(2-methyl-1-benzofuran-7-yl)methanone
CID 155496131
(2,6-dimethylpyrimidin-4-yl)-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155498555
3-chloro-5-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 134699659
1,3-dihydro-2-benzofuran-4-yl-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 157012803
6-methyl-4-(3-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-quinolin-2-one
CID 121499593
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[5-methyl-4-[(4-methylphenoxy)methyl]furan-2-yl]methanone
CID 157013076
[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 155508898
(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155504830

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one (CID 134701632) is 4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one is CCC[C@]1(CO)CN(C(=O)c2cc(=O)[nH]c3ccc(C)cc23)CC[C@H]1O.
What is the InChIKey of 4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is MYORJDCRGZMPNL-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-7-20(12-23)11-22(8-6-17(20)24)19(26)15-10-18(25)21-16-5-4-13(2)9-14(15)16/h4-5,9-10,17,23-24H,3,6-8,11-12H2,1-2H3,(H,21,25)/t17-,20-/m1/s1.
What are the key properties of 4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one?
4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 358.44 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 134701632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).