(E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide

C30H34N4O2 — CID 55966717

IUPAC(E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C30H34N4O2/c35-28(31-26-18-20-33(21-19-26)30(36)24-12-6-2-7-13-24)17-16-25-22-34(27-14-8-3-9-15-27)32-29(25)23-10-4-1-5-11-23/h1,3-5,8-11,14-17,22,24,26H,2,6-7,12-13,18-21H2,(H,31,35)/b17-16+
InChIKeyNMJXNUOWTPGOJJ-WUKNDPDISA-N
MW482.63 g/mol
LogP5.24
Rot. Bonds6

About (E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide

(E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide (PubChem CID 55966717) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is (E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
PubChem CID55966717
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name(E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C30H34N4O2/c35-28(31-26-18-20-33(21-19-26)30(36)24-12-6-2-7-13-24)17-16-25-22-34(27-14-8-3-9-15-27)32-29(25)23-10-4-1-5-11-23/h1,3-5,8-11,14-17,22,24,26H,2,6-7,12-13,18-21H2,(H,31,35)/b17-16+
InChIKeyNMJXNUOWTPGOJJ-WUKNDPDISA-N
XLogP5.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-benzyl-3-phenylpyrazol-4-yl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]prop-2-enamide
CID 55966851
(E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 31716696
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 46540299
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 55676240
(E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 36842749
3-(1,3-diphenylpyrazol-4-yl)-N-(phenylcarbamothioyl)prop-2-enamide
CID 3645403
[2-(cycloheptylamino)-2-oxoethyl] 3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 5085463
(Z)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 2299076
(E)-3-(1,3-diphenylpyrazol-4-yl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 42992214
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 19543200
[2-(cyclohexylamino)-2-oxoethyl] 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 4070116
(E)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 166379826

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide (CID 55966717) is (E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide is O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of (E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is NMJXNUOWTPGOJJ-WUKNDPDISA-N. The full InChI is InChI=1S/C30H34N4O2/c35-28(31-26-18-20-33(21-19-26)30(36)24-12-6-2-7-13-24)17-16-25-22-34(27-14-8-3-9-15-27)32-29(25)23-10-4-1-5-11-23/h1,3-5,8-11,14-17,22,24,26H,2,6-7,12-13,18-21H2,(H,31,35)/b17-16+.
What are the key properties of (E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide?
(E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 482.63 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 55966717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).