2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide

C17H21N3O2 — CID 125175300

IUPAC2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide
SMILESO=C(CN1CCC[C@@H](O)C1)NCc1ccnc2ccccc12
InChIInChI=1S/C17H21N3O2/c21-14-4-3-9-20(11-14)12-17(22)19-10-13-7-8-18-16-6-2-1-5-15(13)16/h1-2,5-8,14,21H,3-4,9-12H2,(H,19,22)/t14-/m1/s1
InChIKeyHLTMUZDBLPYXBJ-CQSZACIVSA-N
MW299.37 g/mol
LogP1.31
Rot. Bonds4

About 2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide

2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide (PubChem CID 125175300) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide
PubChem CID125175300
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide
SMILESO=C(CN1CCC[C@@H](O)C1)NCc1ccnc2ccccc12
InChIInChI=1S/C17H21N3O2/c21-14-4-3-9-20(11-14)12-17(22)19-10-13-7-8-18-16-6-2-1-5-15(13)16/h1-2,5-8,14,21H,3-4,9-12H2,(H,19,22)/t14-/m1/s1
InChIKeyHLTMUZDBLPYXBJ-CQSZACIVSA-N
XLogP1.31
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 124504969
2-pyrrolidin-1-yl-N-[[1-(quinolin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 131922151
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548
4-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 79240792
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
(3R,4R)-4-hydroxy-1-methyl-N-(quinolin-4-ylmethyl)piperidine-3-carboxamide
CID 157014449
2,2-dimethyl-N-[[(3R)-1-(quinolin-4-ylmethyl)piperidin-3-yl]methyl]propanamide
CID 95210439
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 99953823
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
N-[2-(2,6-dimethylphenoxy)ethyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110897538
2-[(3R)-3-hydroxypiperidin-1-yl]-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 99934293

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide (CID 125175300) is 2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide is O=C(CN1CCC[C@@H](O)C1)NCc1ccnc2ccccc12.
What is the InChIKey of 2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide?
The InChIKey is HLTMUZDBLPYXBJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-14-4-3-9-20(11-14)12-17(22)19-10-13-7-8-18-16-6-2-1-5-15(13)16/h1-2,5-8,14,21H,3-4,9-12H2,(H,19,22)/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide?
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-hydroxypiperidin-1-yl]-N-(quinolin-4-ylmethyl)acetamide is sourced from PubChem (CID 125175300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).