N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride

C17H28Cl3N3O — CID 119850277

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1cccc(Cl)c1N(C)C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H26ClN3O.2ClH/c1-12(13-6-5-9-19-11-13)10-16(22)20-15-8-4-7-14(18)17(15)21(2)3;;/h4,7-8,12-13,19H,5-6,9-11H2,1-3H3,(H,20,22);2*1H
InChIKeyGSYOZKQQLULVDV-UHFFFAOYSA-N
MW396.79 g/mol
LogP4.21
Rot. Bonds5

About N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride

N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119850277) has the molecular formula C17H28Cl3N3O and a molecular weight of 396.79 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119850277
Molecular FormulaC17H28Cl3N3O
Molecular Weight396.79 g/mol
Exact Mass395.13
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)Nc1cccc(Cl)c1N(C)C)C1CCCNC1.Cl.Cl
InChIInChI=1S/C17H26ClN3O.2ClH/c1-12(13-6-5-9-19-11-13)10-16(22)20-15-8-4-7-14(18)17(15)21(2)3;;/h4,7-8,12-13,19H,5-6,9-11H2,1-3H3,(H,20,22);2*1H
InChIKeyGSYOZKQQLULVDV-UHFFFAOYSA-N
XLogP4.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.79
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-piperidin-3-ylbutanamide
CID 119740871
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828880
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 119684708

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119850277) is N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)Nc1cccc(Cl)c1N(C)C)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is GSYOZKQQLULVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O.2ClH/c1-12(13-6-5-9-19-11-13)10-16(22)20-15-8-4-7-14(18)17(15)21(2)3;;/h4,7-8,12-13,19H,5-6,9-11H2,1-3H3,(H,20,22);2*1H.
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride?
N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 396.79 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119850277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).