ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane

C26H46N2O2 — CID 164904710

IUPACethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane
SMILESCC.CC1CCCC(C(=O)NCc2ccc(COC3CCNCC3)cc2)C1.CCC
InChIInChI=1S/C21H32N2O2.C3H8.C2H6/c1-16-3-2-4-19(13-16)21(24)23-14-17-5-7-18(8-6-17)15-25-20-9-11-22-12-10-20;1-3-2;1-2/h5-8,16,19-20,22H,2-4,9-15H2,1H3,(H,23,24);3H2,1-2H3;1-2H3
InChIKeyJEWOYVUMNKVPLF-UHFFFAOYSA-N
MW418.67 g/mol
LogP5.84
Rot. Bonds6

About ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane

ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane (PubChem CID 164904710) has the molecular formula C26H46N2O2 and a molecular weight of 418.67 g/mol. Its IUPAC name is ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane.

Molecular Properties

Compound Nameethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane
PubChem CID164904710
Molecular FormulaC26H46N2O2
Molecular Weight418.67 g/mol
Exact Mass418.36
IUPAC Nameethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane
SMILESCC.CC1CCCC(C(=O)NCc2ccc(COC3CCNCC3)cc2)C1.CCC
InChIInChI=1S/C21H32N2O2.C3H8.C2H6/c1-16-3-2-4-19(13-16)21(24)23-14-17-5-7-18(8-6-17)15-25-20-9-11-22-12-10-20;1-3-2;1-2/h5-8,16,19-20,22H,2-4,9-15H2,1H3,(H,23,24);3H2,1-2H3;1-2H3
InChIKeyJEWOYVUMNKVPLF-UHFFFAOYSA-N
XLogP5.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.67
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120639837
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-4-carboxamide
CID 119312792
N-[(4-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 94693526
3-methyl-N-[(3-piperazin-1-ylphenyl)methyl]cyclohexane-1-carboxamide
CID 164904730
1-(3-methylcyclohexyl)-2-piperidin-4-yloxyethanone
CID 116571046
ethyl 4-[(piperidine-4-carbonylamino)methyl]benzoate
CID 119302054
N-benzylpiperidine-4-carboxamide
CID 3868064
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane?
The IUPAC name of ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane (CID 164904710) is ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane.
What is the SMILES notation for ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane?
The canonical SMILES for ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane is CC.CC1CCCC(C(=O)NCc2ccc(COC3CCNCC3)cc2)C1.CCC.
What is the InChIKey of ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane?
The InChIKey is JEWOYVUMNKVPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2.C3H8.C2H6/c1-16-3-2-4-19(13-16)21(24)23-14-17-5-7-18(8-6-17)15-25-20-9-11-22-12-10-20;1-3-2;1-2/h5-8,16,19-20,22H,2-4,9-15H2,1H3,(H,23,24);3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane?
ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane has a molecular weight of 418.67 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-[[4-(piperidin-4-yloxymethyl)phenyl]methyl]cyclohexane-1-carboxamide;propane is sourced from PubChem (CID 164904710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).