1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride

C21H35Cl2N3O2 — CID 119849343

IUPAC1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCOc1ccccc1C(CNC(=O)C1(N)CCCCC1)N1CCCCC1.Cl.Cl
InChIInChI=1S/C21H33N3O2.2ClH/c1-26-19-11-5-4-10-17(19)18(24-14-8-3-9-15-24)16-23-20(25)21(22)12-6-2-7-13-21;;/h4-5,10-11,18H,2-3,6-9,12-16,22H2,1H3,(H,23,25);2*1H
InChIKeyXBISSGLXIZVLSX-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.84
Rot. Bonds6

About 1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119849343) has the molecular formula C21H35Cl2N3O2 and a molecular weight of 432.44 g/mol. Its IUPAC name is 1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119849343
Molecular FormulaC21H35Cl2N3O2
Molecular Weight432.44 g/mol
Exact Mass431.21
IUPAC Name1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCOc1ccccc1C(CNC(=O)C1(N)CCCCC1)N1CCCCC1.Cl.Cl
InChIInChI=1S/C21H33N3O2.2ClH/c1-26-19-11-5-4-10-17(19)18(24-14-8-3-9-15-24)16-23-20(25)21(22)12-6-2-7-13-21;;/h4-5,10-11,18H,2-3,6-9,12-16,22H2,1H3,(H,23,25);2*1H
InChIKeyXBISSGLXIZVLSX-UHFFFAOYSA-N
XLogP3.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]oxane-4-carboxamide
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4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide;dihydrochloride
CID 120639874
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4-(methoxymethyl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
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methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
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2-iodo-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 31307195
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119849343) is 1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride is COc1ccccc1C(CNC(=O)C1(N)CCCCC1)N1CCCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is XBISSGLXIZVLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2.2ClH/c1-26-19-11-5-4-10-17(19)18(24-14-8-3-9-15-24)16-23-20(25)21(22)12-6-2-7-13-21;;/h4-5,10-11,18H,2-3,6-9,12-16,22H2,1H3,(H,23,25);2*1H.
What are the key properties of 1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 432.44 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119849343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).