N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide

C17H24ClN3O2 — CID 858222

IUPACN-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C17H24ClN3O2/c1-3-16(22)19-13-6-7-15(14(18)9-13)20-17(23)11-21-8-4-5-12(2)10-21/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyWGAIXIOKWBPETF-GFCCVEGCSA-N
MW337.85 g/mol
LogP3.36
Rot. Bonds5

About N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide

N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide (PubChem CID 858222) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide
PubChem CID858222
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H](C)C2)c(Cl)c1
InChIInChI=1S/C17H24ClN3O2/c1-3-16(22)19-13-6-7-15(14(18)9-13)20-17(23)11-21-8-4-5-12(2)10-21/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyWGAIXIOKWBPETF-GFCCVEGCSA-N
XLogP3.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]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-(2-chloro-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 7409437
N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16779145
N-(4-chloro-3-nitrophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 3128753
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 22197766
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6914795
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
N-(3-amino-4-methylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 43375487
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543
4-methyl-N-[3-methyl-4-[[2-(3-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
CID 3206736
N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681972
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide (CID 858222) is N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H](C)C2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide?
The InChIKey is WGAIXIOKWBPETF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-3-16(22)19-13-6-7-15(14(18)9-13)20-17(23)11-21-8-4-5-12(2)10-21/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,19,22)(H,20,23)/t12-/m1/s1.
What are the key properties of N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide?
N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide has a molecular weight of 337.85 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 858222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).