N-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide

C25H30N4O3 — CID 11575682

IUPACN-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide
SMILESCC(=O)N1CCC(c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCC(C)CC3)c2)CC1
InChIInChI=1S/C25H30N4O3/c1-17-7-11-29(12-8-17)23-15-20(19-9-13-28(14-10-19)18(2)30)3-5-22(23)27-25(31)24-6-4-21(16-26)32-24/h3-6,15,17,19H,7-14H2,1-2H3,(H,27,31)
InChIKeyLXNSFOLMNZRZMW-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.37
Rot. Bonds4

About N-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide

N-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide (PubChem CID 11575682) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide
PubChem CID11575682
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide
SMILESCC(=O)N1CCC(c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCC(C)CC3)c2)CC1
InChIInChI=1S/C25H30N4O3/c1-17-7-11-29(12-8-17)23-15-20(19-9-13-28(14-10-19)18(2)30)3-5-22(23)27-25(31)24-6-4-21(16-26)32-24/h3-6,15,17,19H,7-14H2,1-2H3,(H,27,31)
InChIKeyLXNSFOLMNZRZMW-UHFFFAOYSA-N
XLogP4.37
TPSA89.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Cyano-N-[4-(4-Methylpiperazin-1-Yl)-2-Piperidin-1-Ylphenyl]furan-2-Carboxamide
CID 11502871
5-Cyano-furan-2-carboxylic acid (5-hydroxymethyl-2-(4-methyl-piperidin-1-YL)-phenyl)-amide
CID 9884318
5-methyl-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4799939
3-[(2s)-1-Acetyl-4-(Furan-2-Carbonyl)-2-Methyl-1,2,3,4-Tetrahydroquinoxalin-6-Yl]-N-Methylbenzamide
CID 118080305
N-[4-[4-(3-Cyanophenyl)piperazin-1-yl]butyl]benzo[b]furan-2-carboxamide
CID 11596521
5-cyano-N-(2-(4-methylpiperidin-1-yl)-4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)furan-2-carboxamide
CID 11619776
5-Cyano-furan-2-carboxylic acid [2-(4-methyl-piperidin-1-yl)-4-piperidin-4-yl-phenyl]-amide
CID 11621465
5-cyano-N-[2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]furan-2-carboxamide
CID 11669846
5-cyano-N-(4-(4-(2-hydroxyethyl)piperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
CID 11685397
5-cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)furan-2-carboxamide
CID 11690004
5-cyano-N-[4-(4-(111C)methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
CID 161198075
N-{2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl}furan-2-carboxamide
CID 1087124

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide?
The IUPAC name of N-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide (CID 11575682) is N-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide.
What is the SMILES notation for N-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide?
The canonical SMILES for N-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide is CC(=O)N1CCC(c2ccc(NC(=O)c3ccc(C#N)o3)c(N3CCC(C)CC3)c2)CC1.
What is the InChIKey of N-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide?
The InChIKey is LXNSFOLMNZRZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-17-7-11-29(12-8-17)23-15-20(19-9-13-28(14-10-19)18(2)30)3-5-22(23)27-25(31)24-6-4-21(16-26)32-24/h3-6,15,17,19H,7-14H2,1-2H3,(H,27,31).
What are the key properties of N-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide?
N-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-acetylpiperidin-4-yl)-2-(4-methylpiperidin-1-yl)phenyl]-5-cyanofuran-2-carboxamide is sourced from PubChem (CID 11575682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).