2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide

C16H23Cl2N3O — CID 120775712

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Cl)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H23Cl2N3O/c1-10(21-8-7-13(19)16(2,3)9-21)15(22)20-12-6-4-5-11(17)14(12)18/h4-6,10,13H,7-9,19H2,1-3H3,(H,20,22)
InChIKeyVTVWMSFCCNGEGD-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.38
Rot. Bonds3

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide (PubChem CID 120775712) has the molecular formula C16H23Cl2N3O and a molecular weight of 344.29 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide
PubChem CID120775712
Molecular FormulaC16H23Cl2N3O
Molecular Weight344.29 g/mol
Exact Mass343.12
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide
SMILESCC(C(=O)Nc1cccc(Cl)c1Cl)N1CCC(N)C(C)(C)C1
InChIInChI=1S/C16H23Cl2N3O/c1-10(21-8-7-13(19)16(2,3)9-21)15(22)20-12-6-4-5-11(17)14(12)18/h4-6,10,13H,7-9,19H2,1-3H3,(H,20,22)
InChIKeyVTVWMSFCCNGEGD-UHFFFAOYSA-N
XLogP3.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-bromophenyl)propanamide;hydrochloride
CID 120776287
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2-chloro-5-nitrophenyl)propanamide
CID 120775302
N-(2,3-dichlorophenyl)-2-(3-hydroxypiperidin-1-yl)propanamide
CID 47103111
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-chloro-2-pyridinyl)propanamide;hydrochloride
CID 120775078
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 120776022
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 120774348
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-cyclohexylpropanamide
CID 120775751
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120774297
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-carbamoylpropanamide
CID 120776742
1-[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 9443547
N-(2,3-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168041

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide (CID 120775712) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide is CC(C(=O)Nc1cccc(Cl)c1Cl)N1CCC(N)C(C)(C)C1.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is VTVWMSFCCNGEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O/c1-10(21-8-7-13(19)16(2,3)9-21)15(22)20-12-6-4-5-11(17)14(12)18/h4-6,10,13H,7-9,19H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide has a molecular weight of 344.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 120775712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).