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

C16H33Cl2N3O — CID 119841086

IUPAC3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCC(C)CN1CCC(NC(=O)C2CCCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-12(2)11-19-8-6-15(7-9-19)18-16(20)13-4-3-5-14(17)10-13;;/h12-15H,3-11,17H2,1-2H3,(H,18,20);2*1H
InChIKeyXPPYWYYXZZKQDV-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.58
Rot. Bonds4

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

3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119841086) has the molecular formula C16H33Cl2N3O and a molecular weight of 354.37 g/mol. Its IUPAC name is 3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119841086
Molecular FormulaC16H33Cl2N3O
Molecular Weight354.37 g/mol
Exact Mass353.20
IUPAC Name3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCC(C)CN1CCC(NC(=O)C2CCCC(N)C2)CC1.Cl.Cl
InChIInChI=1S/C16H31N3O.2ClH/c1-12(2)11-19-8-6-15(7-9-19)18-16(20)13-4-3-5-14(17)10-13;;/h12-15H,3-11,17H2,1-2H3,(H,18,20);2*1H
InChIKeyXPPYWYYXZZKQDV-UHFFFAOYSA-N
XLogP2.58
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119841081
3-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861345
3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62775601
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
CID 62776469
3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868631
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119892062
3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 63043224
(3R)-N-cyclopropyl-1-[1-(2-methylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26323417
3-amino-N-(1-prop-2-enylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 119879095
3-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119812000
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 83623800

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride (CID 119841086) is 3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride is CC(C)CN1CCC(NC(=O)C2CCCC(N)C2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is XPPYWYYXZZKQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.2ClH/c1-12(2)11-19-8-6-15(7-9-19)18-16(20)13-4-3-5-14(17)10-13;;/h12-15H,3-11,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 354.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119841086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).