3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide

C13H25N3O — CID 62775601

IUPAC3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCN1CCC(NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C13H25N3O/c1-16-7-5-12(6-8-16)15-13(17)10-3-2-4-11(14)9-10/h10-12H,2-9,14H2,1H3,(H,15,17)
InChIKeyCIHVLUXSPGZRIG-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.71
Rot. Bonds2

About 3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide

3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 62775601) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
PubChem CID62775601
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCN1CCC(NC(=O)C2CCCC(N)C2)CC1
InChIInChI=1S/C13H25N3O/c1-16-7-5-12(6-8-16)15-13(17)10-3-2-4-11(14)9-10/h10-12H,2-9,14H2,1H3,(H,15,17)
InChIKeyCIHVLUXSPGZRIG-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868631
3-amino-N-cyclopropylcyclohexane-1-carboxamide
CID 18071393
3-amino-N-(1-methylpyrrolidin-3-yl)cyclopentane-1-carboxamide
CID 66007963
ethyl 4-[(3-aminocyclohexanecarbonyl)amino]piperidine-1-carboxylate
CID 62776469
3-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861345
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119841086
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
3-amino-N-(1-methyl-5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119758195
3-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
CID 103812491
3-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119841081
3-amino-N-(1,1-dioxothian-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119784472

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide (CID 62775601) is 3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide is CN1CCC(NC(=O)C2CCCC(N)C2)CC1.
What is the InChIKey of 3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is CIHVLUXSPGZRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-16-7-5-12(6-8-16)15-13(17)10-3-2-4-11(14)9-10/h10-12H,2-9,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62775601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).