2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide

C23H27N3O4 — CID 166420856

IUPAC2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C23H27N3O4/c1-4-21(27)25-20-8-6-5-7-17(20)14-22(28)26-11-9-18(10-12-26)24-23(29)19-13-15(2)30-16(19)3/h4-8,13,18H,1,9-12,14H2,2-3H3,(H,24,29)(H,25,27)
InChIKeyGZSZPSQSOVUHAI-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.98
Rot. Bonds6

About 2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide

2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide (PubChem CID 166420856) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide
PubChem CID166420856
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide
SMILESC=CC(=O)Nc1ccccc1CC(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C23H27N3O4/c1-4-21(27)25-20-8-6-5-7-17(20)14-22(28)26-11-9-18(10-12-26)24-23(29)19-13-15(2)30-16(19)3/h4-8,13,18H,1,9-12,14H2,2-3H3,(H,24,29)(H,25,27)
InChIKeyGZSZPSQSOVUHAI-UHFFFAOYSA-N
XLogP2.98
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316694
2,5-dimethyl-N-[1-[2-(methylcarbamoylamino)acetyl]piperidin-4-yl]furan-3-carboxamide
CID 138995224
N-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 111537911
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316682
N-[2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420879
4-[(2,5-dimethylfuran-3-carbonyl)amino]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 71879750
N-[2-[2-oxo-2-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethyl]phenyl]prop-2-enamide
CID 166420866
2,5-dimethyl-N-[1-(1-methylindole-3-carbonyl)piperidin-4-yl]furan-3-carboxamide
CID 99816350
N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71879738
N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771763
N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420720
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide (CID 166420856) is 2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide is C=CC(=O)Nc1ccccc1CC(=O)N1CCC(NC(=O)c2cc(C)oc2C)CC1.
What is the InChIKey of 2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide?
The InChIKey is GZSZPSQSOVUHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-4-21(27)25-20-8-6-5-7-17(20)14-22(28)26-11-9-18(10-12-26)24-23(29)19-13-15(2)30-16(19)3/h4-8,13,18H,1,9-12,14H2,2-3H3,(H,24,29)(H,25,27).
What are the key properties of 2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide?
2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-[2-[2-(prop-2-enoylamino)phenyl]acetyl]piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 166420856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).