benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane

C30H37N3O2 — CID 166076258

IUPACbenzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane
SMILESCC.Cc1ccc(Oc2cccc(C=C3CCN(C(=O)NC4CC4)CC3)c2)nc1.c1ccccc1
InChIInChI=1S/C22H25N3O2.C6H6.C2H6/c1-16-5-8-21(23-15-16)27-20-4-2-3-18(14-20)13-17-9-11-25(12-10-17)22(26)24-19-6-7-19;1-2-4-6-5-3-1;1-2/h2-5,8,13-15,19H,6-7,9-12H2,1H3,(H,24,26);1-6H;1-2H3
InChIKeyYFXJUPMGJHJPBK-UHFFFAOYSA-N
MW471.65 g/mol
LogP7.25
Rot. Bonds4

About benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane

benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane (PubChem CID 166076258) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane.

Molecular Properties

Compound Namebenzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane
PubChem CID166076258
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC Namebenzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane
SMILESCC.Cc1ccc(Oc2cccc(C=C3CCN(C(=O)NC4CC4)CC3)c2)nc1.c1ccccc1
InChIInChI=1S/C22H25N3O2.C6H6.C2H6/c1-16-5-8-21(23-15-16)27-20-4-2-3-18(14-20)13-17-9-11-25(12-10-17)22(26)24-19-6-7-19;1-2-4-6-5-3-1;1-2/h2-5,8,13-15,19H,6-7,9-12H2,1H3,(H,24,26);1-6H;1-2H3
InChIKeyYFXJUPMGJHJPBK-UHFFFAOYSA-N
XLogP7.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane?
The IUPAC name of benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane (CID 166076258) is benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane.
What is the SMILES notation for benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane?
The canonical SMILES for benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane is CC.Cc1ccc(Oc2cccc(C=C3CCN(C(=O)NC4CC4)CC3)c2)nc1.c1ccccc1.
What is the InChIKey of benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane?
The InChIKey is YFXJUPMGJHJPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.C6H6.C2H6/c1-16-5-8-21(23-15-16)27-20-4-2-3-18(14-20)13-17-9-11-25(12-10-17)22(26)24-19-6-7-19;1-2-4-6-5-3-1;1-2/h2-5,8,13-15,19H,6-7,9-12H2,1H3,(H,24,26);1-6H;1-2H3.
What are the key properties of benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane?
benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane has a molecular weight of 471.65 g/mol, XLogP of 7.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane is sourced from PubChem (CID 166076258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).