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

C18H36Cl2N4O — CID 119868631

IUPAC3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN1CCC(N2CCC(NC(=O)C3CCCC(N)C3)CC2)CC1.Cl.Cl
InChIInChI=1S/C18H34N4O.2ClH/c1-21-9-7-17(8-10-21)22-11-5-16(6-12-22)20-18(23)14-3-2-4-15(19)13-14;;/h14-17H,2-13,19H2,1H3,(H,20,23);2*1H
InChIKeyLGYZPBOSJFJOJS-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.02
Rot. Bonds3

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

3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119868631) has the molecular formula C18H36Cl2N4O and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119868631
Molecular FormulaC18H36Cl2N4O
Molecular Weight395.42 g/mol
Exact Mass394.23
IUPAC Name3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN1CCC(N2CCC(NC(=O)C3CCCC(N)C3)CC2)CC1.Cl.Cl
InChIInChI=1S/C18H34N4O.2ClH/c1-21-9-7-17(8-10-21)22-11-5-16(6-12-22)20-18(23)14-3-2-4-15(19)13-14;;/h14-17H,2-13,19H2,1H3,(H,20,23);2*1H
InChIKeyLGYZPBOSJFJOJS-UHFFFAOYSA-N
XLogP2.02
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62775601
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
3-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119892062
3-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861345
3-amino-N-(1-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 66007963
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119841086
ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
CID 62776469
N-(1-cyclopropylpiperidin-4-yl)cyclopentanecarboxamide
CID 110750777
3-amino-N-(4-carbamoylcyclohexyl)cyclohexane-1-carboxamide
CID 63043224
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119758195
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]cyclopentanecarboxamide
CID 45181380
3-amino-N-(3-methylsulfanylcyclohexyl)cyclohexane-1-carboxamide;hydrochloride
CID 119794937

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride (CID 119868631) is 3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride is CN1CCC(N2CCC(NC(=O)C3CCCC(N)C3)CC2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is LGYZPBOSJFJOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O.2ClH/c1-21-9-7-17(8-10-21)22-11-5-16(6-12-22)20-18(23)14-3-2-4-15(19)13-14;;/h14-17H,2-13,19H2,1H3,(H,20,23);2*1H.
What are the key properties of 3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 395.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119868631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).