N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide

C28H31N3O3 — CID 18552651

IUPACN-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1C
InChIInChI=1S/C28H31N3O3/c1-20-10-11-23(17-21(20)2)27(32)30-26(18-25-9-6-16-34-25)28(33)29-24-12-14-31(15-13-24)19-22-7-4-3-5-8-22/h3-11,16-18,24H,12-15,19H2,1-2H3,(H,29,33)(H,30,32)/b26-18-
InChIKeyIOSVYPREWBQPNZ-ITYLOYPMSA-N
MW457.57 g/mol
LogP4.45
Rot. Bonds7

About N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide

N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide (PubChem CID 18552651) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
PubChem CID18552651
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1C
InChIInChI=1S/C28H31N3O3/c1-20-10-11-23(17-21(20)2)27(32)30-26(18-25-9-6-16-34-25)28(33)29-24-12-14-31(15-13-24)19-22-7-4-3-5-8-22/h3-11,16-18,24H,12-15,19H2,1-2H3,(H,29,33)(H,30,32)/b26-18-
InChIKeyIOSVYPREWBQPNZ-ITYLOYPMSA-N
XLogP4.45
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide 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

N-[3-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599646
4-chloro-N-[(Z)-3-(cyclohexylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 5437782
N-[(Z)-1-(furan-2-yl)-3-oxo-3-[(1-pyridin-2-ylpiperidin-4-yl)amino]prop-1-en-2-yl]benzamide
CID 86942402
N-[(Z)-1-(furan-2-yl)-3-(5-methyl-1,5-diazocan-1-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
CID 143034758
N-(1-benzylpiperidin-4-yl)-3-methyl-4-nitrobenzamide
CID 26691349
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-[3-(3,4-dimethylanilino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2836098
2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide
CID 175662803
N-(1-benzylpiperidin-4-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 24981031
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
2-(furan-2-yl)-4,5-dimethyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46482024
3-[[[(Z)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]methyl]-N-methylbenzamide
CID 86942349

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide (CID 18552651) is N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1C.
What is the InChIKey of N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide?
The InChIKey is IOSVYPREWBQPNZ-ITYLOYPMSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-20-10-11-23(17-21(20)2)27(32)30-26(18-25-9-6-16-34-25)28(33)29-24-12-14-31(15-13-24)19-22-7-4-3-5-8-22/h3-11,16-18,24H,12-15,19H2,1-2H3,(H,29,33)(H,30,32)/b26-18-.
What are the key properties of N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide?
N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide has a molecular weight of 457.57 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 18552651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).