2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide

C15H22ClN3O — CID 79992672

IUPAC2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CC(C)CC(N)C1
InChIInChI=1S/C15H22ClN3O/c1-10-5-13(17)8-19(7-10)9-15(20)18-14-4-3-12(16)6-11(14)2/h3-4,6,10,13H,5,7-9,17H2,1-2H3,(H,18,20)
InChIKeyKHXBXCBQOCHNME-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.26
Rot. Bonds3

About 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide

2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide (PubChem CID 79992672) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide
PubChem CID79992672
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CC(C)CC(N)C1
InChIInChI=1S/C15H22ClN3O/c1-10-5-13(17)8-19(7-10)9-15(20)18-14-4-3-12(16)6-11(14)2/h3-4,6,10,13H,5,7-9,17H2,1-2H3,(H,18,20)
InChIKeyKHXBXCBQOCHNME-UHFFFAOYSA-N
XLogP2.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-5-methylpiperidin-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79993013
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 79993547
2-(3-amino-5-methylpiperidin-1-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 79992916
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120728146
N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 120762166
2-[[2-(3-amino-5-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 79992543
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 114395086
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
N-(4-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79181994
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-chloro-2-methylphenyl)acetamide;hydrochloride
CID 119920513
N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 109032944

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide (CID 79992672) is 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN1CC(C)CC(N)C1.
What is the InChIKey of 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is KHXBXCBQOCHNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-10-5-13(17)8-19(7-10)9-15(20)18-14-4-3-12(16)6-11(14)2/h3-4,6,10,13H,5,7-9,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide?
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 295.81 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 79992672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).