3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride

C15H26Cl2N4O — CID 119848202

IUPAC3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC1CCN(Cc2ccncc2)CC1.Cl.Cl
InChIInChI=1S/C15H24N4O.2ClH/c1-12(16)10-15(20)18-14-4-8-19(9-5-14)11-13-2-6-17-7-3-13;;/h2-3,6-7,12,14H,4-5,8-11,16H2,1H3,(H,18,20);2*1H
InChIKeyKQMUHUIPRYJUNZ-UHFFFAOYSA-N
MW349.31 g/mol
LogP1.74
Rot. Bonds5

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

3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride (PubChem CID 119848202) has the molecular formula C15H26Cl2N4O and a molecular weight of 349.31 g/mol. Its IUPAC name is 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
PubChem CID119848202
Molecular FormulaC15H26Cl2N4O
Molecular Weight349.31 g/mol
Exact Mass348.15
IUPAC Name3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NC1CCN(Cc2ccncc2)CC1.Cl.Cl
InChIInChI=1S/C15H24N4O.2ClH/c1-12(16)10-15(20)18-14-4-8-19(9-5-14)11-13-2-6-17-7-3-13;;/h2-3,6-7,12,14H,4-5,8-11,16H2,1H3,(H,18,20);2*1H
InChIKeyKQMUHUIPRYJUNZ-UHFFFAOYSA-N
XLogP1.74
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide
CID 119848199
2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
CID 119848192
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
3-amino-N-(1-benzylpiperidin-3-yl)butanamide;dihydrochloride
CID 119856024
(2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129368215
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
CID 120872926
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848169
3-[4-(dimethylamino)phenyl]-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91791895
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025
2-methoxy-2-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 136524347

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride (CID 119848202) is 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride is CC(N)CC(=O)NC1CCN(Cc2ccncc2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride?
The InChIKey is KQMUHUIPRYJUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.2ClH/c1-12(16)10-15(20)18-14-4-8-19(9-5-14)11-13-2-6-17-7-3-13;;/h2-3,6-7,12,14H,4-5,8-11,16H2,1H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride?
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride has a molecular weight of 349.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride is sourced from PubChem (CID 119848202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).