3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide

C20H30ClN3O2 — CID 55717805

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
SMILESCC(=O)NC(CC(=O)NCCCN1CCCC(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H30ClN3O2/c1-15-5-3-11-24(14-15)12-4-10-22-20(26)13-19(23-16(2)25)17-6-8-18(21)9-7-17/h6-9,15,19H,3-5,10-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyCEUPKWDFKWMQGG-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.15
Rot. Bonds8

About 3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 55717805) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
PubChem CID55717805
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
SMILESCC(=O)NC(CC(=O)NCCCN1CCCC(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H30ClN3O2/c1-15-5-3-11-24(14-15)12-4-10-22-20(26)13-19(23-16(2)25)17-6-8-18(21)9-7-17/h6-9,15,19H,3-5,10-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyCEUPKWDFKWMQGG-UHFFFAOYSA-N
XLogP3.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-[4-(3-methylpiperidin-1-yl)butylamino]-3-oxo-1-phenylpropyl]benzamide
CID 60516198
3-acetamido-3-(4-chlorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 55618227
3-acetamido-N-[3-(azepan-1-yl)propyl]-3-phenylpropanamide
CID 78778209
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide
CID 86961985
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide
CID 60569087
1-[3-acetamido-3-(4-chlorophenyl)propanoyl]-N-butylpiperidine-3-carboxamide
CID 49407372
3-acetamido-3-(4-chlorophenyl)-N-(3-phenoxypropyl)propanamide
CID 51256293
N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119491794
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 51923223

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide (CID 55717805) is 3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide is CC(=O)NC(CC(=O)NCCCN1CCCC(C)C1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is CEUPKWDFKWMQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-15-5-3-11-24(14-15)12-4-10-22-20(26)13-19(23-16(2)25)17-6-8-18(21)9-7-17/h6-9,15,19H,3-5,10-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 379.93 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 55717805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).