(3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide

C17H21N3O2 — CID 157014449

IUPAC(3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide
SMILESCN1CC[C@@H](O)[C@H](C(=O)NCc2ccnc3ccccc23)C1
InChIInChI=1S/C17H21N3O2/c1-20-9-7-16(21)14(11-20)17(22)19-10-12-6-8-18-15-5-3-2-4-13(12)15/h2-6,8,14,16,21H,7,9-11H2,1H3,(H,19,22)/t14-,16-/m1/s1
InChIKeyUVHCYXUCVXPAGA-GDBMZVCRSA-N
MW299.37 g/mol
LogP1.16
Rot. Bonds3

About (3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide

(3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 157014449) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID157014449
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide
SMILESCN1CC[C@@H](O)[C@H](C(=O)NCc2ccnc3ccccc23)C1
InChIInChI=1S/C17H21N3O2/c1-20-9-7-16(21)14(11-20)17(22)19-10-12-6-8-18-15-5-3-2-4-13(12)15/h2-6,8,14,16,21H,7,9-11H2,1H3,(H,19,22)/t14-,16-/m1/s1
InChIKeyUVHCYXUCVXPAGA-GDBMZVCRSA-N
XLogP1.16
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine
CID 115619138
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide
CID 125175300
(3R,4S)-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 157020423
(3S)-3-amino-N-(quinolin-5-ylmethyl)pyrrolidine-1-carboxamide
CID 154795406
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439
1-(2-methoxyphenyl)-5-oxo-N-(quinolin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 91787400
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(quinolin-4-ylmethyl)urea
CID 111751216
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
(3R,4S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-hydroxy-1-methylpiperidine-3-carboxamide
CID 163317688
N-cyclopentyl-3-(quinolin-4-ylmethylcarbamoylamino)propanamide
CID 71862995
ethyl 4-[[N'-methyl-N-(quinolin-4-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111968839

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide (CID 157014449) is (3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide is CN1CC[C@@H](O)[C@H](C(=O)NCc2ccnc3ccccc23)C1.
What is the InChIKey of (3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is UVHCYXUCVXPAGA-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-20-9-7-16(21)14(11-20)17(22)19-10-12-6-8-18-15-5-3-2-4-13(12)15/h2-6,8,14,16,21H,7,9-11H2,1H3,(H,19,22)/t14-,16-/m1/s1.
What are the key properties of (3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide?
(3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 157014449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).