4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide

C21H33N3O2 — CID 146330165

IUPAC4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NCCN2CCC(c3cccc(C)n3)CC2)CC1
InChIInChI=1S/C21H33N3O2/c1-16-4-3-5-20(23-16)17-10-13-24(14-11-17)15-12-22-21(25)18-6-8-19(26-2)9-7-18/h3-5,17-19H,6-15H2,1-2H3,(H,22,25)
InChIKeyOFDPWRMPOMJNHU-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.89
Rot. Bonds6

About 4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide

4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide (PubChem CID 146330165) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
PubChem CID146330165
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NCCN2CCC(c3cccc(C)n3)CC2)CC1
InChIInChI=1S/C21H33N3O2/c1-16-4-3-5-20(23-16)17-10-13-24(14-11-17)15-12-22-21(25)18-6-8-19(26-2)9-7-18/h3-5,17-19H,6-15H2,1-2H3,(H,22,25)
InChIKeyOFDPWRMPOMJNHU-UHFFFAOYSA-N
XLogP2.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10800755, Example 1
CID 142429260
US10800755, Example 4
CID 155922396
US10800755, Example 11
CID 142429261
US10800755, Example 16
CID 142429276
US10800755, Example 34
CID 146329998
US10800755, Example 27
CID 146330085
US10800755, Example 32
CID 146330087
US10800755, Example 25
CID 146360827
US10800755, Example 2
CID 155922394
US10800755, Example 29
CID 142429259
US10800755, Example 8
CID 142429277
US10800755, Example 15
CID 146329997

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide (CID 146330165) is 4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide is COC1CCC(C(=O)NCCN2CCC(c3cccc(C)n3)CC2)CC1.
What is the InChIKey of 4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is OFDPWRMPOMJNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-16-4-3-5-20(23-16)17-10-13-24(14-11-17)15-12-22-21(25)18-6-8-19(26-2)9-7-18/h3-5,17-19H,6-15H2,1-2H3,(H,22,25).
What are the key properties of 4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide?
4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 146330165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).