N-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane

C22H38N4O2 — CID 143229645

IUPACN-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane
SMILESCC.COc1cc(C)nc(N2CCCC(CCN(C=O)C3CCCCC3)C2)n1
InChIInChI=1S/C20H32N4O2.C2H6/c1-16-13-19(26-2)22-20(21-16)23-11-6-7-17(14-23)10-12-24(15-25)18-8-4-3-5-9-18;1-2/h13,15,17-18H,3-12,14H2,1-2H3;1-2H3
InChIKeyJOCDOGGPCKIHTO-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.22
Rot. Bonds7

About N-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane

N-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane (PubChem CID 143229645) has the molecular formula C22H38N4O2 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane.

Molecular Properties

Compound NameN-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane
PubChem CID143229645
Molecular FormulaC22H38N4O2
Molecular Weight390.57 g/mol
Exact Mass390.30
IUPAC NameN-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane
SMILESCC.COc1cc(C)nc(N2CCCC(CCN(C=O)C3CCCCC3)C2)n1
InChIInChI=1S/C20H32N4O2.C2H6/c1-16-13-19(26-2)22-20(21-16)23-11-6-7-17(14-23)10-12-24(15-25)18-8-4-3-5-9-18;1-2/h13,15,17-18H,3-12,14H2,1-2H3;1-2H3
InChIKeyJOCDOGGPCKIHTO-UHFFFAOYSA-N
XLogP4.22
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane?
The IUPAC name of N-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane (CID 143229645) is N-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane.
What is the SMILES notation for N-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane?
The canonical SMILES for N-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane is CC.COc1cc(C)nc(N2CCCC(CCN(C=O)C3CCCCC3)C2)n1.
What is the InChIKey of N-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane?
The InChIKey is JOCDOGGPCKIHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2.C2H6/c1-16-13-19(26-2)22-20(21-16)23-11-6-7-17(14-23)10-12-24(15-25)18-8-4-3-5-9-18;1-2/h13,15,17-18H,3-12,14H2,1-2H3;1-2H3.
What are the key properties of N-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane?
N-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane has a molecular weight of 390.57 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-3-yl]ethyl]formamide;ethane is sourced from PubChem (CID 143229645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).