3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide

C29H33N3O2 — CID 66886029

IUPAC3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=Cc3cccc(OC(C)Cc4ccccc4)c3)C(C)C2)cn1
InChIInChI=1S/C29H33N3O2/c1-21-20-32(29(33)31-27-13-12-22(2)30-19-27)15-14-26(21)17-25-10-7-11-28(18-25)34-23(3)16-24-8-5-4-6-9-24/h4-13,17-19,21,23H,14-16,20H2,1-3H3,(H,31,33)
InChIKeySEQISZMFBRHVEN-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.36
Rot. Bonds6

About 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide

3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66886029) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66886029
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(=Cc3cccc(OC(C)Cc4ccccc4)c3)C(C)C2)cn1
InChIInChI=1S/C29H33N3O2/c1-21-20-32(29(33)31-27-13-12-22(2)30-19-27)15-14-26(21)17-25-10-7-11-28(18-25)34-23(3)16-24-8-5-4-6-9-24/h4-13,17-19,21,23H,14-16,20H2,1-3H3,(H,31,33)
InChIKeySEQISZMFBRHVEN-UHFFFAOYSA-N
XLogP6.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide with MolForge

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Related Compounds

3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66885876
N-(6-cyano-3-pyridinyl)-3-methyl-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885242
3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66883411
4-[[3-[2-(3-fluorophenyl)ethoxy]phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66886122
4-[[3-[(5-chloro-2-pyridinyl)oxy]phenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885355
4-[[3-(5-chloropyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66883931
4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-N-(6-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 66885631
(4E)-4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 67229064
3-methyl-N-(5-methyl-3-pyridinyl)-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 66885163
N-(4,5-dimethyl-1,2-oxazol-3-yl)-3-methyl-4-[[3-(2-propan-2-yloxyethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66883787
4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 66884842
(4E)-3-methyl-N-pyridazin-3-yl-4-[[3-(4,4,4-trifluoro-2-methylbutoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66897615

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide (CID 66886029) is 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(=Cc3cccc(OC(C)Cc4ccccc4)c3)C(C)C2)cn1.
What is the InChIKey of 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is SEQISZMFBRHVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-21-20-32(29(33)31-27-13-12-22(2)30-19-27)15-14-26(21)17-25-10-7-11-28(18-25)34-23(3)16-24-8-5-4-6-9-24/h4-13,17-19,21,23H,14-16,20H2,1-3H3,(H,31,33).
What are the key properties of 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide?
3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-methyl-3-pyridinyl)-4-[[3-(1-phenylpropan-2-yloxy)phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66886029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).