3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride

C16H27Cl2N3O — CID 120504040

IUPAC3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NC1CCCN(c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12(13(2)17)16(20)18-14-7-6-10-19(11-14)15-8-4-3-5-9-15;;/h3-5,8-9,12-14H,6-7,10-11,17H2,1-2H3,(H,18,20);2*1H
InChIKeyLKKKGHFOQSZNHB-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.60
Rot. Bonds4

About 3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride

3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride (PubChem CID 120504040) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
PubChem CID120504040
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride
SMILESCC(N)C(C)C(=O)NC1CCCN(c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12(13(2)17)16(20)18-14-7-6-10-19(11-14)15-8-4-3-5-9-15;;/h3-5,8-9,12-14H,6-7,10-11,17H2,1-2H3,(H,18,20);2*1H
InChIKeyLKKKGHFOQSZNHB-UHFFFAOYSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
CID 120503187
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
(1-phenylpiperidin-3-yl)urea
CID 121416777
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride
CID 120800731
N-[1-oxo-1-[(1-phenylpiperidin-3-yl)amino]propan-2-yl]furan-2-carboxamide
CID 136526076
2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide
CID 136526077
3-amino-N-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methylbutanamide
CID 120503919
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
2-amino-3-phenyl-N-(1-phenylpyrrolidin-3-yl)propanamide
CID 119861685

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride (CID 120504040) is 3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride is CC(N)C(C)C(=O)NC1CCCN(c2ccccc2)C1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride?
The InChIKey is LKKKGHFOQSZNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-12(13(2)17)16(20)18-14-7-6-10-19(11-14)15-8-4-3-5-9-15;;/h3-5,8-9,12-14H,6-7,10-11,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride?
3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(1-phenylpiperidin-3-yl)butanamide;dihydrochloride is sourced from PubChem (CID 120504040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).