4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide

C24H30N4O3 — CID 66886134

IUPAC4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide
SMILESCOc1cnc(NC(=O)N2CCC(=Cc3cccc(OCC4CCCC4)c3)CC2)cn1
InChIInChI=1S/C24H30N4O3/c1-30-23-16-25-22(15-26-23)27-24(29)28-11-9-18(10-12-28)13-20-7-4-8-21(14-20)31-17-19-5-2-3-6-19/h4,7-8,13-16,19H,2-3,5-6,9-12,17H2,1H3,(H,25,27,29)
InChIKeyVTOUSWOTPDGGNQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.77
Rot. Bonds6

About 4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide

4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide (PubChem CID 66886134) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide
PubChem CID66886134
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide
SMILESCOc1cnc(NC(=O)N2CCC(=Cc3cccc(OCC4CCCC4)c3)CC2)cn1
InChIInChI=1S/C24H30N4O3/c1-30-23-16-25-22(15-26-23)27-24(29)28-11-9-18(10-12-28)13-20-7-4-8-21(14-20)31-17-19-5-2-3-6-19/h4,7-8,13-16,19H,2-3,5-6,9-12,17H2,1H3,(H,25,27,29)
InChIKeyVTOUSWOTPDGGNQ-UHFFFAOYSA-N
XLogP4.77
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methoxypyrazin-2-yl)-4-[[3-(2-pyridin-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66899697
N-(5-methoxypyrazin-2-yl)-4-[[3-(4,4,4-trifluoro-2-methylbutoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66884974
4-[[3-[(5-bromo-2-pyridinyl)oxy]phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)-3-methylpiperidine-1-carboxamide
CID 66884258
(4E)-4-[[3-[(4,4-difluorocyclohexyl)methoxy]phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 67228281
4-[(3-pyrazin-2-yloxyphenyl)methylidene]-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66875738
benzene;N-cyclopropyl-4-[[3-[(5-methyl-2-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide;ethane
CID 166076258
(4E)-4-[[3-(cyclohex-3-en-1-ylmethoxy)phenyl]methylidene]-3-methyl-N-pyridin-3-ylpiperidine-1-carboxamide
CID 67229064
N-(6-chloropyridazin-3-yl)-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 24966910
N-pyridazin-3-yl-4-[[3-(2-thiophen-3-ylethoxy)phenyl]methylidene]piperidine-1-carboxamide
CID 66896937
N-pyridin-3-yl-4-[[3-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 24964786
N-cyclopropyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;ethene
CID 171499902
4-[(3-but-3-en-2-yloxyphenyl)methylidene]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 66889276

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide (CID 66886134) is 4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide is COc1cnc(NC(=O)N2CCC(=Cc3cccc(OCC4CCCC4)c3)CC2)cn1.
What is the InChIKey of 4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide?
The InChIKey is VTOUSWOTPDGGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-30-23-16-25-22(15-26-23)27-24(29)28-11-9-18(10-12-28)13-20-7-4-8-21(14-20)31-17-19-5-2-3-6-19/h4,7-8,13-16,19H,2-3,5-6,9-12,17H2,1H3,(H,25,27,29).
What are the key properties of 4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide?
4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopentylmethoxy)phenyl]methylidene]-N-(5-methoxypyrazin-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 66886134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).