3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide

C22H34ClN3O2 — CID 60569087

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide
SMILESCC(=O)NC(CC(=O)NCC(C)(C)N1CC(C)CC(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C22H34ClN3O2/c1-15-10-16(2)13-26(12-15)22(4,5)14-24-21(28)11-20(25-17(3)27)18-6-8-19(23)9-7-18/h6-9,15-16,20H,10-14H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyGCOHXEQVRRVPLI-UHFFFAOYSA-N
MW407.99 g/mol
LogP3.78
Rot. Bonds7

About 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide (PubChem CID 60569087) has the molecular formula C22H34ClN3O2 and a molecular weight of 407.99 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide
PubChem CID60569087
Molecular FormulaC22H34ClN3O2
Molecular Weight407.99 g/mol
Exact Mass407.23
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide
SMILESCC(=O)NC(CC(=O)NCC(C)(C)N1CC(C)CC(C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C22H34ClN3O2/c1-15-10-16(2)13-26(12-15)22(4,5)14-24-21(28)11-20(25-17(3)27)18-6-8-19(23)9-7-18/h6-9,15-16,20H,10-14H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyGCOHXEQVRRVPLI-UHFFFAOYSA-N
XLogP3.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 55717805
ethyl (3R)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11425680
methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate
CID 11391194
3-acetamido-3-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide;hydrochloride
CID 120946780
3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide
CID 119574769
3-acetamido-3-(4-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]propanamide
CID 55709961
3-acetamido-3-(4-chlorophenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119432712
3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 51312505
3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
CID 119574768
(3S)-3-acetamido-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 8751486
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 52516198
(3R)-3-acetamido-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 51980916

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide (CID 60569087) is 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide is CC(=O)NC(CC(=O)NCC(C)(C)N1CC(C)CC(C)C1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide?
The InChIKey is GCOHXEQVRRVPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClN3O2/c1-15-10-16(2)13-26(12-15)22(4,5)14-24-21(28)11-20(25-17(3)27)18-6-8-19(23)9-7-18/h6-9,15-16,20H,10-14H2,1-5H3,(H,24,28)(H,25,27).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide has a molecular weight of 407.99 g/mol, XLogP of 3.78, 7 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-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]propanamide is sourced from PubChem (CID 60569087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).