N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide

C25H26ClN3O3 — CID 42565918

IUPACN-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1
InChIInChI=1S/C25H26ClN3O3/c1-32-23-10-9-20(26)14-22(23)28-24(30)11-8-17-5-4-12-29(16-17)25(31)19-13-18-6-2-3-7-21(18)27-15-19/h2-3,6-7,9-10,13-15,17H,4-5,8,11-12,16H2,1H3,(H,28,30)/t17-/m1/s1
InChIKeyXMBKYTIJVIJGOC-QGZVFWFLSA-N
MW451.95 g/mol
LogP5.17
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide (PubChem CID 42565918) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide
PubChem CID42565918
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1
InChIInChI=1S/C25H26ClN3O3/c1-32-23-10-9-20(26)14-22(23)28-24(30)11-8-17-5-4-12-29(16-17)25(31)19-13-18-6-2-3-7-21(18)27-15-19/h2-3,6-7,9-10,13-15,17H,4-5,8,11-12,16H2,1H3,(H,28,30)/t17-/m1/s1
InChIKeyXMBKYTIJVIJGOC-QGZVFWFLSA-N
XLogP5.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.95
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide 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

N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 25274792
N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-(2-methylbenzoyl)piperidin-3-yl]propanamide
CID 42193450
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide
CID 25277586
3-[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 70763395
N-(5-chloro-2-methoxyphenyl)-3-[1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45197857
N-(5-chloro-2-methoxyphenyl)-3-[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]propanamide
CID 72931584
(3S)-3-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 97278510
N-(5-chloro-2-methoxyphenyl)-3-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]propanamide
CID 45191588
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidin-3-yl]propanamide
CID 25486961
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]propanamide
CID 25477368
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 26327141
3-[(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-3-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 26412854

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide (CID 42565918) is N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide is COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCCN(C(=O)c2cnc3ccccc3c2)C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is XMBKYTIJVIJGOC-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c1-32-23-10-9-20(26)14-22(23)28-24(30)11-8-17-5-4-12-29(16-17)25(31)19-13-18-6-2-3-7-21(18)27-15-19/h2-3,6-7,9-10,13-15,17H,4-5,8,11-12,16H2,1H3,(H,28,30)/t17-/m1/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide?
N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 451.95 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-(quinoline-3-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 42565918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).