N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide

C17H20ClN3O2 — CID 129251061

IUPACN-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide
SMILESC[C@@H]1CNC[C@](NC(=O)CO)(c2ccc(Cl)c3ncccc23)C1
InChIInChI=1S/C17H20ClN3O2/c1-11-7-17(10-19-8-11,21-15(23)9-22)13-4-5-14(18)16-12(13)3-2-6-20-16/h2-6,11,19,22H,7-10H2,1H3,(H,21,23)/t11-,17-/m0/s1
InChIKeyIMGSGMDMMHAMIN-GTNSWQLSSA-N
MW333.82 g/mol
LogP1.82
Rot. Bonds3

About N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide

N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide (PubChem CID 129251061) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide
PubChem CID129251061
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide
SMILESC[C@@H]1CNC[C@](NC(=O)CO)(c2ccc(Cl)c3ncccc23)C1
InChIInChI=1S/C17H20ClN3O2/c1-11-7-17(10-19-8-11,21-15(23)9-22)13-4-5-14(18)16-12(13)3-2-6-20-16/h2-6,11,19,22H,7-10H2,1H3,(H,21,23)/t11-,17-/m0/s1
InChIKeyIMGSGMDMMHAMIN-GTNSWQLSSA-N
XLogP1.82
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[(3R,5S)-3-(8-fluoroquinolin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 129251147
N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3-dimethylbutanamide
CID 129250924
2-(1-methylpiperidin-3-yl)-N-[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129251185
tert-butyl N-[1-[2-[[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]-2-oxoethyl]azetidin-3-yl]carbamate
CID 129251082
(2R)-2-amino-N-[(3R,5S)-3-[8-(difluoromethyl)quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
CID 129250943
2-(azetidin-3-yl)-N-(8-chloroquinolin-5-yl)acetamide
CID 64617391
N-[(3R,5S)-3-(8-cyanoquinazolin-5-yl)-5-methylpiperidin-3-yl]-2-(dimethylamino)acetamide
CID 129251076
2-(1-methylpyrrolidin-3-yl)-N-[(3R,5S)-5-methyl-3-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]acetamide
CID 129251043
2-(5-chloroquinolin-8-yl)oxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 120943944
N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1-methylpiperidin-3-yl)acetamide
CID 129251140
(2S)-N-[(3R,5S)-3-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-methoxypropanamide
CID 129251128
2-(5-chloroquinolin-8-yl)oxy-N-piperidin-4-ylacetamide
CID 119386547

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide?
The IUPAC name of N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide (CID 129251061) is N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide is C[C@@H]1CNC[C@](NC(=O)CO)(c2ccc(Cl)c3ncccc23)C1.
What is the InChIKey of N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide?
The InChIKey is IMGSGMDMMHAMIN-GTNSWQLSSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-7-17(10-19-8-11,21-15(23)9-22)13-4-5-14(18)16-12(13)3-2-6-20-16/h2-6,11,19,22H,7-10H2,1H3,(H,21,23)/t11-,17-/m0/s1.
What are the key properties of N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide?
N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide has a molecular weight of 333.82 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-3-(8-chloroquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxyacetamide is sourced from PubChem (CID 129251061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).