3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide

C25H32N4O2 — CID 91109518

IUPAC3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NN3CCCCC3)c3c2C2CC4CC(CC3C4)C2)cc1
InChIInChI=1S/C25H32N4O2/c1-31-21-7-5-20(6-8-21)29-24-19-14-16-11-17(15-19)13-18(12-16)22(24)23(26-29)25(30)27-28-9-3-2-4-10-28/h5-8,16-19H,2-4,9-15H2,1H3,(H,27,30)
InChIKeyDXPHXZQHGABKFA-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.40
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide

3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide (PubChem CID 91109518) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide
PubChem CID91109518
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NN3CCCCC3)c3c2C2CC4CC(CC3C4)C2)cc1
InChIInChI=1S/C25H32N4O2/c1-31-21-7-5-20(6-8-21)29-24-19-14-16-11-17(15-19)13-18(12-16)22(24)23(26-29)25(30)27-28-9-3-2-4-10-28/h5-8,16-19H,2-4,9-15H2,1H3,(H,27,30)
InChIKeyDXPHXZQHGABKFA-UHFFFAOYSA-N
XLogP4.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-4-(18F)fluoro-5-(4-methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10928082
N-(azepan-1-yl)-4-bromo-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 10886022
2-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11213299
1-(2,4-dichloro-3-fluorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 68803235
1-(3,4-dichlorophenyl)-5-(2,5-dimethylpyrrol-1-yl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 24768474
2-[4-[5-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-1-yl]phenoxy]acetic acid
CID 59217895
2-amino-5-methoxy-N-piperidin-1-ylbenzamide
CID 83013031
(1S,7S)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
CID 15603244
2-(4-methoxyphenyl)-N-pyrrolidin-1-ylacetamide
CID 22146742
N-tert-butyl-3-(4-methylphenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
CID 69246809
4-(azepane-1-carbonyl)-2-(4-methoxyphenyl)phthalazin-1-one
CID 5130604
N-tert-butyl-3-(4-chlorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
CID 67029731

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide (CID 91109518) is 3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide is COc1ccc(-n2nc(C(=O)NN3CCCCC3)c3c2C2CC4CC(CC3C4)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide?
The InChIKey is DXPHXZQHGABKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-31-21-7-5-20(6-8-21)29-24-19-14-16-11-17(15-19)13-18(12-16)22(24)23(26-29)25(30)27-28-9-3-2-4-10-28/h5-8,16-19H,2-4,9-15H2,1H3,(H,27,30).
What are the key properties of 3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide?
3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide is sourced from PubChem (CID 91109518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).