N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C20H24N4O2 — CID 48507742

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCCc1cc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C20H24N4O2/c1-2-17-14-18(23-22-17)21-20(26)16-10-12-24(13-11-16)19(25)9-8-15-6-4-3-5-7-15/h3-9,14,16H,2,10-13H2,1H3,(H2,21,22,23,26)/b9-8+
InChIKeyWBTNLOMKVBTFOF-CMDGGOBGSA-N
MW352.44 g/mol
LogP2.86
Rot. Bonds5

About N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 48507742) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID48507742
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCCc1cc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)n[nH]1
InChIInChI=1S/C20H24N4O2/c1-2-17-14-18(23-22-17)21-20(26)16-10-12-24(13-11-16)19(25)9-8-15-6-4-3-5-7-15/h3-9,14,16H,2,10-13H2,1H3,(H2,21,22,23,26)/b9-8+
InChIKeyWBTNLOMKVBTFOF-CMDGGOBGSA-N
XLogP2.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
1-[(E)-3-phenylprop-2-enoyl]-N-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 32951936
N-(3-chloro-2,6-diethylphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 42999507
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
N-[6-(2-methoxyethoxy)-3-pyridinyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 43069850
N-(5-ethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
CID 113245552
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 9051294
N-(5-ethyl-1H-pyrazol-3-yl)cyclopent-3-ene-1-carboxamide
CID 115644958
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 32869236
1-[(E)-3-phenylprop-2-enoyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17491972

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 48507742) is N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is CCc1cc(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is WBTNLOMKVBTFOF-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-17-14-18(23-22-17)21-20(26)16-10-12-24(13-11-16)19(25)9-8-15-6-4-3-5-7-15/h3-9,14,16H,2,10-13H2,1H3,(H2,21,22,23,26)/b9-8+.
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 48507742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).