1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride

C18H37Cl2N3O — CID 119849849

IUPAC1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)C2(N)CCCCC2)C(C)C)CC1.Cl.Cl
InChIInChI=1S/C18H35N3O.2ClH/c1-14(2)16(21-11-7-15(3)8-12-21)13-20-17(22)18(19)9-5-4-6-10-18;;/h14-16H,4-13,19H2,1-3H3,(H,20,22);2*1H
InChIKeyBDUHCDZQYBFIFO-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.36
Rot. Bonds5

About 1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119849849) has the molecular formula C18H37Cl2N3O and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119849849
Molecular FormulaC18H37Cl2N3O
Molecular Weight382.42 g/mol
Exact Mass381.23
IUPAC Name1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCC1CCN(C(CNC(=O)C2(N)CCCCC2)C(C)C)CC1.Cl.Cl
InChIInChI=1S/C18H35N3O.2ClH/c1-14(2)16(21-11-7-15(3)8-12-21)13-20-17(22)18(19)9-5-4-6-10-18;;/h14-16H,4-13,19H2,1-3H3,(H,20,22);2*1H
InChIKeyBDUHCDZQYBFIFO-UHFFFAOYSA-N
XLogP3.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide
CID 119849844
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)oxane-4-carboxamide
CID 115294618
4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119849813
2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
CID 119849811
1-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 61241468
2-hydroxy-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 39111251
1-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1-carboxamide
CID 115448375
1-amino-N-[(2S)-2-hydroxypropyl]cyclopentane-1-carboxamide
CID 93315414
1-amino-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 65036083
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119946551
1-amino-N-[2-[cyclopropyl(methyl)amino]propyl]cyclohexane-1-carboxamide
CID 103814425
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119849849) is 1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride is CC1CCN(C(CNC(=O)C2(N)CCCCC2)C(C)C)CC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is BDUHCDZQYBFIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O.2ClH/c1-14(2)16(21-11-7-15(3)8-12-21)13-20-17(22)18(19)9-5-4-6-10-18;;/h14-16H,4-13,19H2,1-3H3,(H,20,22);2*1H.
What are the key properties of 1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 382.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119849849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).