2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride

C13H22Cl2N4O — CID 119918336

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride
SMILESCNC1CCCN(CC(=O)Nc2ccncc2)C1.Cl.Cl
InChIInChI=1S/C13H20N4O.2ClH/c1-14-12-3-2-8-17(9-12)10-13(18)16-11-4-6-15-7-5-11;;/h4-7,12,14H,2-3,8-10H2,1H3,(H,15,16,18);2*1H
InChIKeyRCSZKUUABMEXSZ-UHFFFAOYSA-N
MW321.25 g/mol
LogP1.55
Rot. Bonds4

About 2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride

2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride (PubChem CID 119918336) has the molecular formula C13H22Cl2N4O and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride
PubChem CID119918336
Molecular FormulaC13H22Cl2N4O
Molecular Weight321.25 g/mol
Exact Mass320.12
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride
SMILESCNC1CCCN(CC(=O)Nc2ccncc2)C1.Cl.Cl
InChIInChI=1S/C13H20N4O.2ClH/c1-14-12-3-2-8-17(9-12)10-13(18)16-11-4-6-15-7-5-11;;/h4-7,12,14H,2-3,8-10H2,1H3,(H,15,16,18);2*1H
InChIKeyRCSZKUUABMEXSZ-UHFFFAOYSA-N
XLogP1.55
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide;hydrochloride
CID 119919466
N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920227
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
2-[3-(methylamino)piperidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 119919788
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride (CID 119918336) is 2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride is CNC1CCCN(CC(=O)Nc2ccncc2)C1.Cl.Cl.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride?
The InChIKey is RCSZKUUABMEXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.2ClH/c1-14-12-3-2-8-17(9-12)10-13(18)16-11-4-6-15-7-5-11;;/h4-7,12,14H,2-3,8-10H2,1H3,(H,15,16,18);2*1H.
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride?
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride has a molecular weight of 321.25 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride is sourced from PubChem (CID 119918336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).