4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide

C25H32N4O3 — CID 118601013

IUPAC4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide
SMILESCC1(C)CCN(c2cc(CCN3CCOCC3)ccc2NC(=O)c2cc(C#N)co2)CC1
InChIInChI=1S/C25H32N4O3/c1-25(2)6-9-29(10-7-25)22-15-19(5-8-28-11-13-31-14-12-28)3-4-21(22)27-24(30)23-16-20(17-26)18-32-23/h3-4,15-16,18H,5-14H2,1-2H3,(H,27,30)
InChIKeyXXBKKADFXQZBMV-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.90
Rot. Bonds6

About 4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide

4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide (PubChem CID 118601013) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide
PubChem CID118601013
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide
SMILESCC1(C)CCN(c2cc(CCN3CCOCC3)ccc2NC(=O)c2cc(C#N)co2)CC1
InChIInChI=1S/C25H32N4O3/c1-25(2)6-9-29(10-7-25)22-15-19(5-8-28-11-13-31-14-12-28)3-4-21(22)27-24(30)23-16-20(17-26)18-32-23/h3-4,15-16,18H,5-14H2,1-2H3,(H,27,30)
InChIKeyXXBKKADFXQZBMV-UHFFFAOYSA-N
XLogP3.90
TPSA81.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide with MolForge

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Related Compounds

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]-1H-imidazole-2-carboxamide;hydrochloride
CID 24875221
4-(2-morpholin-4-ylethyl)-2-piperidin-1-ylaniline
CID 137374606
5-cyano-N-[2-(cyclohexen-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 24875076
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CID 112803801
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CID 70846219
2-methoxy-4-(2-morpholin-4-ylethyl)aniline
CID 57416115
1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973717
tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate
CID 59777100
N-(3-cyanophenyl)-N'-(2-morpholin-4-ylphenyl)propanediamide
CID 108956537
N-[2-(4,4-dimethylpiperidin-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-isocyanofuran-2-carboxamide
CID 59771211
N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960490
N-methyl-4-[4-(2-morpholin-4-ylethyl)phenyl]benzamide
CID 71133573

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide (CID 118601013) is 4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide is CC1(C)CCN(c2cc(CCN3CCOCC3)ccc2NC(=O)c2cc(C#N)co2)CC1.
What is the InChIKey of 4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide?
The InChIKey is XXBKKADFXQZBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-25(2)6-9-29(10-7-25)22-15-19(5-8-28-11-13-31-14-12-28)3-4-21(22)27-24(30)23-16-20(17-26)18-32-23/h3-4,15-16,18H,5-14H2,1-2H3,(H,27,30).
What are the key properties of 4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide?
4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(4,4-dimethylpiperidin-1-yl)-4-(2-morpholin-4-ylethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 118601013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).