2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride

C11H25Cl2N3O — CID 119861461

IUPAC2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride
SMILESCCCN1CCC(CNC(=O)CN)CC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-2-5-14-6-3-10(4-7-14)9-13-11(15)8-12;;/h10H,2-9,12H2,1H3,(H,13,15);2*1H
InChIKeyMFQLTLYTKPJXFM-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.03
Rot. Bonds5

About 2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride

2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride (PubChem CID 119861461) has the molecular formula C11H25Cl2N3O and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride
PubChem CID119861461
Molecular FormulaC11H25Cl2N3O
Molecular Weight286.25 g/mol
Exact Mass285.14
IUPAC Name2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride
SMILESCCCN1CCC(CNC(=O)CN)CC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-2-5-14-6-3-10(4-7-14)9-13-11(15)8-12;;/h10H,2-9,12H2,1H3,(H,13,15);2*1H
InChIKeyMFQLTLYTKPJXFM-UHFFFAOYSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
N-[[1-(2-aminoethyl)piperidin-4-yl]methyl]acetamide
CID 66567390
3-bromo-N-[(1-propylpyrrolidin-3-yl)methyl]propanamide
CID 82109941
3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide
CID 110025148
tert-butyl 4-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 11701760
4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride
CID 119898914
2-amino-N-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]acetamide
CID 60847583
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096
4-hydroxy-N-[(1-propylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119861445
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
2-amino-N-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 51891967
ethane;methyl 2-(1-propylpiperidin-4-yl)acetate
CID 143432640

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride (CID 119861461) is 2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride is CCCN1CCC(CNC(=O)CN)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride?
The InChIKey is MFQLTLYTKPJXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.2ClH/c1-2-5-14-6-3-10(4-7-14)9-13-11(15)8-12;;/h10H,2-9,12H2,1H3,(H,13,15);2*1H.
What are the key properties of 2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride?
2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride has a molecular weight of 286.25 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119861461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).