(3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid

C21H27N3O4 — CID 164690368

IUPAC(3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc2cc(CN3CC[C@H](C(=O)O)[C@H](O)C3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C21H27N3O4/c1-14-2-3-15-11-16(12-23-5-4-17(21(26)27)19(25)13-23)20(22-18(15)10-14)24-6-8-28-9-7-24/h2-3,10-11,17,19,25H,4-9,12-13H2,1H3,(H,26,27)/t17-,19+/m0/s1
InChIKeyCSTBDWJEELNOQJ-PKOBYXMFSA-N
MW385.46 g/mol
LogP1.65
Rot. Bonds4

About (3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid

(3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 164690368) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is (3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid
PubChem CID164690368
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name(3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid
SMILESCc1ccc2cc(CN3CC[C@H](C(=O)O)[C@H](O)C3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C21H27N3O4/c1-14-2-3-15-11-16(12-23-5-4-17(21(26)27)19(25)13-23)20(22-18(15)10-14)24-6-8-28-9-7-24/h2-3,10-11,17,19,25H,4-9,12-13H2,1H3,(H,26,27)/t17-,19+/m0/s1
InChIKeyCSTBDWJEELNOQJ-PKOBYXMFSA-N
XLogP1.65
TPSA86.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid 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

4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine
CID 91761902
(3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
CID 163309665
(6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride
CID 171316569
1-[(3R,4R)-4-hydroxy-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698083
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine
CID 131948850
(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol
CID 134704805
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79874159
1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine
CID 131914391
1-[3-[[3-(3-azatricyclo[3.1.0.02,6]hex-1(6)-en-3-yl)propylamino]methyl]-7-methylquinolin-2-yl]piperidin-4-ol
CID 130295621
[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51923514
[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol
CID 60661917
2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide
CID 77095583

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of (3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid (CID 164690368) is (3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for (3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for (3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid is Cc1ccc2cc(CN3CC[C@H](C(=O)O)[C@H](O)C3)c(N3CCOCC3)nc2c1.
What is the InChIKey of (3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is CSTBDWJEELNOQJ-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14-2-3-15-11-16(12-23-5-4-17(21(26)27)19(25)13-23)20(22-18(15)10-14)24-6-8-28-9-7-24/h2-3,10-11,17,19,25H,4-9,12-13H2,1H3,(H,26,27)/t17-,19+/m0/s1.
What are the key properties of (3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid?
(3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 385.46 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 164690368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).