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

C16H28Cl2N4O — CID 119848192

IUPAC2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NC1CCN(Cc2ccncc2)CC1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-13(11-17-2)16(21)19-15-5-9-20(10-6-15)12-14-3-7-18-8-4-14;;/h3-4,7-8,13,15,17H,5-6,9-12H2,1-2H3,(H,19,21);2*1H
InChIKeyFSWQBKGRQTVOOO-UHFFFAOYSA-N
MW363.33 g/mol
LogP1.86
Rot. Bonds6

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

2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride (PubChem CID 119848192) has the molecular formula C16H28Cl2N4O and a molecular weight of 363.33 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
PubChem CID119848192
Molecular FormulaC16H28Cl2N4O
Molecular Weight363.33 g/mol
Exact Mass362.16
IUPAC Name2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NC1CCN(Cc2ccncc2)CC1.Cl.Cl
InChIInChI=1S/C16H26N4O.2ClH/c1-13(11-17-2)16(21)19-15-5-9-20(10-6-15)12-14-3-7-18-8-4-14;;/h3-4,7-8,13,15,17H,5-6,9-12H2,1-2H3,(H,19,21);2*1H
InChIKeyFSWQBKGRQTVOOO-UHFFFAOYSA-N
XLogP1.86
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202
4-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pentanamide
CID 120564614
(2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129368215
N-[(4S,5S)-5-hydroxy-1-(pyridin-4-ylmethyl)azepan-4-yl]-2-methylpropanamide
CID 110126651
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
(2R)-2-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]pentanamide
CID 95279933
2-methoxy-2-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 136524347
2-methyl-3-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 119841116
3-piperidin-4-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide
CID 119848199
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848169

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride (CID 119848192) is 2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride is CNCC(C)C(=O)NC1CCN(Cc2ccncc2)CC1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride?
The InChIKey is FSWQBKGRQTVOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.2ClH/c1-13(11-17-2)16(21)19-15-5-9-20(10-6-15)12-14-3-7-18-8-4-14;;/h3-4,7-8,13,15,17H,5-6,9-12H2,1-2H3,(H,19,21);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride has a molecular weight of 363.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119848192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).