(2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide

C18H28ClN3O — CID 95349122

IUPAC(2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)C[C@@H]1CCCN(C)C1
InChIInChI=1S/C18H28ClN3O/c1-13-7-8-16(19)10-17(13)20-18(23)14(2)22(4)12-15-6-5-9-21(3)11-15/h7-8,10,14-15H,5-6,9,11-12H2,1-4H3,(H,20,23)/t14-,15+/m0/s1
InChIKeyHRCGXNJYGDKBLO-LSDHHAIUSA-N
MW337.90 g/mol
LogP3.25
Rot. Bonds5

About (2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide

(2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide (PubChem CID 95349122) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide
PubChem CID95349122
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC Name(2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)C[C@@H]1CCCN(C)C1
InChIInChI=1S/C18H28ClN3O/c1-13-7-8-16(19)10-17(13)20-18(23)14(2)22(4)12-15-6-5-9-21(3)11-15/h7-8,10,14-15H,5-6,9,11-12H2,1-4H3,(H,20,23)/t14-,15+/m0/s1
InChIKeyHRCGXNJYGDKBLO-LSDHHAIUSA-N
XLogP3.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]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

(2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 95630574
(2S)-N-(3-chloro-4-cyanophenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide
CID 95344481
N-(5-chloro-2-methylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 111750320
N-[[(3S)-1-[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 100855812
(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275606
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 46561720
N-(5-chloro-2-methylphenyl)-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 24664454
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 26374871
2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46681683

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide (CID 95349122) is (2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide is Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)C[C@@H]1CCCN(C)C1.
What is the InChIKey of (2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide?
The InChIKey is HRCGXNJYGDKBLO-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H28ClN3O/c1-13-7-8-16(19)10-17(13)20-18(23)14(2)22(4)12-15-6-5-9-21(3)11-15/h7-8,10,14-15H,5-6,9,11-12H2,1-4H3,(H,20,23)/t14-,15+/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide?
(2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide has a molecular weight of 337.90 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide is sourced from PubChem (CID 95349122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).