3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride

C20H34Cl2N4O — CID 119868587

IUPAC3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(C(=O)C1CCCC(N)C1)C1CCN(CCc2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C20H32N4O.2ClH/c1-23(20(25)16-5-4-6-17(21)15-16)19-9-13-24(14-10-19)12-8-18-7-2-3-11-22-18;;/h2-3,7,11,16-17,19H,4-6,8-10,12-15,21H2,1H3;2*1H
InChIKeySTRJYGQLBFOLMY-UHFFFAOYSA-N
MW417.43 g/mol
LogP2.91
Rot. Bonds5

About 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119868587) has the molecular formula C20H34Cl2N4O and a molecular weight of 417.43 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119868587
Molecular FormulaC20H34Cl2N4O
Molecular Weight417.43 g/mol
Exact Mass416.21
IUPAC Name3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(C(=O)C1CCCC(N)C1)C1CCN(CCc2ccccn2)CC1.Cl.Cl
InChIInChI=1S/C20H32N4O.2ClH/c1-23(20(25)16-5-4-6-17(21)15-16)19-9-13-24(14-10-19)12-8-18-7-2-3-11-22-18;;/h2-3,7,11,16-17,19H,4-6,8-10,12-15,21H2,1H3;2*1H
InChIKeySTRJYGQLBFOLMY-UHFFFAOYSA-N
XLogP2.91
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119868585
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119868586
(1S)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 52510919
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119868601
4-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]butanamide
CID 119868618
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
CID 146091210
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride
CID 119868605
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119868611
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119889661
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 119889662
tert-butyl N-methyl-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]carbamate
CID 71977139

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride (CID 119868587) is 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride is CN(C(=O)C1CCCC(N)C1)C1CCN(CCc2ccccn2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is STRJYGQLBFOLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.2ClH/c1-23(20(25)16-5-4-6-17(21)15-16)19-9-13-24(14-10-19)12-8-18-7-2-3-11-22-18;;/h2-3,7,11,16-17,19H,4-6,8-10,12-15,21H2,1H3;2*1H.
What are the key properties of 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 417.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119868587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).