4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride

C15H33Cl2N3O — CID 119898914

IUPAC4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride
SMILESCC(C)CCN1CCC(CNC(=O)CCCN)CC1.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-13(2)5-9-18-10-6-14(7-11-18)12-17-15(19)4-3-8-16;;/h13-14H,3-12,16H2,1-2H3,(H,17,19);2*1H
InChIKeyKFEANMWGEMKQAB-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.44
Rot. Bonds8

About 4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride

4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride (PubChem CID 119898914) has the molecular formula C15H33Cl2N3O and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride
PubChem CID119898914
Molecular FormulaC15H33Cl2N3O
Molecular Weight342.36 g/mol
Exact Mass341.20
IUPAC Name4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride
SMILESCC(C)CCN1CCC(CNC(=O)CCCN)CC1.Cl.Cl
InChIInChI=1S/C15H31N3O.2ClH/c1-13(2)5-9-18-10-6-14(7-11-18)12-17-15(19)4-3-8-16;;/h13-14H,3-12,16H2,1-2H3,(H,17,19);2*1H
InChIKeyKFEANMWGEMKQAB-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]heptanamide;dihydrochloride
CID 119885095
2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119898912
2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide
CID 119898863
4-amino-N-(cyclopentylmethyl)butanamide
CID 43371168
4-amino-N-(cyclobutylmethyl)butanamide
CID 43298749
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide
CID 114231575
2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119861461
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride (CID 119898914) is 4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride is CC(C)CCN1CCC(CNC(=O)CCCN)CC1.Cl.Cl.
What is the InChIKey of 4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride?
The InChIKey is KFEANMWGEMKQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.2ClH/c1-13(2)5-9-18-10-6-14(7-11-18)12-17-15(19)4-3-8-16;;/h13-14H,3-12,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride?
4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride has a molecular weight of 342.36 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 119898914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).