N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide

C20H24N4O3 — CID 86918779

IUPACN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESCc1oc(NC(=O)C(C)N2CCN(c3ccccc3O)CC2)c(C#N)c1C
InChIInChI=1S/C20H24N4O3/c1-13-15(3)27-20(16(13)12-21)22-19(26)14(2)23-8-10-24(11-9-23)17-6-4-5-7-18(17)25/h4-7,14,25H,8-11H2,1-3H3,(H,22,26)
InChIKeyBBWKYEMEMWLATR-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.62
Rot. Bonds4

About N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (PubChem CID 86918779) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
PubChem CID86918779
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
SMILESCc1oc(NC(=O)C(C)N2CCN(c3ccccc3O)CC2)c(C#N)c1C
InChIInChI=1S/C20H24N4O3/c1-13-15(3)27-20(16(13)12-21)22-19(26)14(2)23-8-10-24(11-9-23)17-6-4-5-7-18(17)25/h4-7,14,25H,8-11H2,1-3H3,(H,22,26)
InChIKeyBBWKYEMEMWLATR-UHFFFAOYSA-N
XLogP2.62
TPSA92.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2654878
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]propanamide
CID 111497013
(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 32720606
(2S)-N-tert-butyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9432613
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(3-cyano-4,5-dimethylfuran-2-yl)propanamide
CID 78857275
N-(3,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4797002
(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760322
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[3-(methanesulfonamido)piperidin-1-yl]propanamide
CID 87016782
(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2088438
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 9432648

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (CID 86918779) is N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide is Cc1oc(NC(=O)C(C)N2CCN(c3ccccc3O)CC2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is BBWKYEMEMWLATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-15(3)27-20(16(13)12-21)22-19(26)14(2)23-8-10-24(11-9-23)17-6-4-5-7-18(17)25/h4-7,14,25H,8-11H2,1-3H3,(H,22,26).
What are the key properties of N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide?
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 368.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 86918779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).