3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride

C12H27Cl2N3O — CID 119866719

IUPAC3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
SMILESCC(C)N1CCCC(CNC(=O)CCN)C1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-10(2)15-7-3-4-11(9-15)8-14-12(16)5-6-13;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyVFASWBDFUHTACD-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.42
Rot. Bonds5

About 3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride

3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride (PubChem CID 119866719) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
PubChem CID119866719
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
SMILESCC(C)N1CCCC(CNC(=O)CCN)C1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-10(2)15-7-3-4-11(9-15)8-14-12(16)5-6-13;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H
InChIKeyVFASWBDFUHTACD-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3-sulfanylpropanamide
CID 107027490
4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide
CID 120940265
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 119866673
ethyl 4-[N'-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163683
2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 75418999
3-methylsulfonyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 131890705
1-hydroxy-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 110912958
2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668
3-imidazo[1,2-a]pyridin-2-yl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 56716306
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 51128222

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride (CID 119866719) is 3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride is CC(C)N1CCCC(CNC(=O)CCN)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride?
The InChIKey is VFASWBDFUHTACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-10(2)15-7-3-4-11(9-15)8-14-12(16)5-6-13;;/h10-11H,3-9,13H2,1-2H3,(H,14,16);2*1H.
What are the key properties of 3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride?
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119866719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).