N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride

C16H33Cl2N3O — CID 119886287

IUPACN-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC1CCN(C)C(C)C1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-12(14-5-4-7-17-11-14)9-16(20)18-15-6-8-19(3)13(2)10-15;;/h12-15,17H,4-11H2,1-3H3,(H,18,20);2*1H
InChIKeyFEQVRBBPNKXMAG-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.45
Rot. Bonds4

About N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride

N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride (PubChem CID 119886287) has the molecular formula C16H33Cl2N3O and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
PubChem CID119886287
Molecular FormulaC16H33Cl2N3O
Molecular Weight354.37 g/mol
Exact Mass353.20
IUPAC NameN-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC1CCN(C)C(C)C1)C1CCCNC1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-12(14-5-4-7-17-11-14)9-16(20)18-15-6-8-19(3)13(2)10-15;;/h12-15,17H,4-11H2,1-3H3,(H,18,20);2*1H
InChIKeyFEQVRBBPNKXMAG-UHFFFAOYSA-N
XLogP2.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119840395
N-(1-methylpiperidin-3-yl)-3-piperidin-3-ylbutanamide
CID 81043754
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-piperidin-3-ylbutanamide
CID 119900324
3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 81048676
N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
CID 119877367
N-(4-methylcyclohexyl)-3-piperidin-3-ylbutanamide
CID 81044327
N-(4-hydroxycyclohexyl)-3-piperidin-3-ylbutanamide
CID 81043560
N-(2,4-dimethylcyclohexyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119784945
N-(1,1-dioxothian-4-yl)-3-piperidin-3-ylbutanamide
CID 81044428
3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
CID 119701805
N-(2-oxo-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119700669
1-(2-methylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119785155

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride (CID 119886287) is N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The canonical SMILES for N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride is CC(CC(=O)NC1CCN(C)C(C)C1)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
The InChIKey is FEQVRBBPNKXMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.2ClH/c1-12(14-5-4-7-17-11-14)9-16(20)18-15-6-8-19(3)13(2)10-15;;/h12-15,17H,4-11H2,1-3H3,(H,18,20);2*1H.
What are the key properties of N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride?
N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride has a molecular weight of 354.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpiperidin-4-yl)-3-piperidin-3-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119886287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).