4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide

C21H24N4O3 — CID 4965760

IUPAC4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESN#CCC(=O)Nc1ccc(C(=O)NCC(c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C21H24N4O3/c22-11-10-20(26)24-17-8-6-16(7-9-17)21(27)23-15-18(19-5-4-14-28-19)25-12-2-1-3-13-25/h4-9,14,18H,1-3,10,12-13,15H2,(H,23,27)(H,24,26)
InChIKeyYHTZUQCBUIARIL-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.09
Rot. Bonds7

About 4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide

4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 4965760) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
PubChem CID4965760
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESN#CCC(=O)Nc1ccc(C(=O)NCC(c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C21H24N4O3/c22-11-10-20(26)24-17-8-6-16(7-9-17)21(27)23-15-18(19-5-4-14-28-19)25-12-2-1-3-13-25/h4-9,14,18H,1-3,10,12-13,15H2,(H,23,27)(H,24,26)
InChIKeyYHTZUQCBUIARIL-UHFFFAOYSA-N
XLogP3.09
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (CID 4965760) is 4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is N#CCC(=O)Nc1ccc(C(=O)NCC(c2ccco2)N2CCCCC2)cc1.
What is the InChIKey of 4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is YHTZUQCBUIARIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c22-11-10-20(26)24-17-8-6-16(7-9-17)21(27)23-15-18(19-5-4-14-28-19)25-12-2-1-3-13-25/h4-9,14,18H,1-3,10,12-13,15H2,(H,23,27)(H,24,26).
What are the key properties of 4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanoacetyl)amino]-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 4965760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).