(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide

C25H24N6O2 — CID 18280518

IUPAC(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C25H24N6O2/c32-25(26-20-11-13-21(14-12-20)30-15-5-2-6-16-30)23(18-22-10-7-17-33-22)31-24(27-28-29-31)19-8-3-1-4-9-19/h1,3-4,7-14,17-18H,2,5-6,15-16H2,(H,26,32)/b23-18-
InChIKeySVERLARIVANYQA-NKFKGCMQSA-N
MW440.51 g/mol
LogP4.56
Rot. Bonds6

About (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide

(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 18280518) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID18280518
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C25H24N6O2/c32-25(26-20-11-13-21(14-12-20)30-15-5-2-6-16-30)23(18-22-10-7-17-33-22)31-24(27-28-29-31)19-8-3-1-4-9-19/h1,3-4,7-14,17-18H,2,5-6,15-16H2,(H,26,32)/b23-18-
InChIKeySVERLARIVANYQA-NKFKGCMQSA-N
XLogP4.56
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 55310805
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 18285613
(Z)-N-(4-bromo-3-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 24661294
(Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 55796584
(Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 18227034
methyl 2-chloro-5-[[(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoyl]amino]benzoate
CID 34164149
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7363985
(Z)-3-(furan-2-yl)-N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 24661286
methyl 2-[[(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoyl]amino]benzoate
CID 24684522
3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 72685071
(2-amino-2-oxoethyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7769582
(4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 18279113

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide (CID 18280518) is (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide is O=C(Nc1ccc(N2CCCCC2)cc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1.
What is the InChIKey of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is SVERLARIVANYQA-NKFKGCMQSA-N. The full InChI is InChI=1S/C25H24N6O2/c32-25(26-20-11-13-21(14-12-20)30-15-5-2-6-16-30)23(18-22-10-7-17-33-22)31-24(27-28-29-31)19-8-3-1-4-9-19/h1,3-4,7-14,17-18H,2,5-6,15-16H2,(H,26,32)/b23-18-.
What are the key properties of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide?
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 440.51 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 18280518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).