1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide

C23H28N4O2 — CID 175110293

IUPAC1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)/C=C/c1cn(-c2ccccc2)nc1C1CCCC1
InChIInChI=1S/C23H28N4O2/c24-23(29)20-12-6-7-15-26(20)21(28)14-13-18-16-27(19-10-2-1-3-11-19)25-22(18)17-8-4-5-9-17/h1-3,10-11,13-14,16-17,20H,4-9,12,15H2,(H2,24,29)/b14-13+
InChIKeyAMWYXJCTTDZOIW-BUHFOSPRSA-N
MW392.50 g/mol
LogP3.41
Rot. Bonds5

About 1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide

1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide (PubChem CID 175110293) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide
PubChem CID175110293
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1C(=O)/C=C/c1cn(-c2ccccc2)nc1C1CCCC1
InChIInChI=1S/C23H28N4O2/c24-23(29)20-12-6-7-15-26(20)21(28)14-13-18-16-27(19-10-2-1-3-11-19)25-22(18)17-8-4-5-9-17/h1-3,10-11,13-14,16-17,20H,4-9,12,15H2,(H2,24,29)/b14-13+
InChIKeyAMWYXJCTTDZOIW-BUHFOSPRSA-N
XLogP3.41
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.41
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

1-[(E)-3-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]piperidine-2-carboxamide
CID 175119065
1-[(E)-3-(2-bromophenyl)prop-2-enoyl]piperidine-2-carboxylic acid
CID 43239931
3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde
CID 83885760
3-cyclopentyl-1-phenylpyrazol-4-amine
CID 83217224
1-[(E)-3-(2-chlorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 43239448
(2S)-1-[(E)-4-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carboxamide
CID 70321115
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 42921863
(Z)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-1-piperidin-1-ylprop-2-en-1-one
CID 2299076
1-oxaldehydoylpiperidine-2-carboxamide
CID 123380194
(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2360790
(2S)-1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 92919828
1-(3-amino-2-phenyl-3-sulfanylidenepropanoyl)piperidine-2-carboxamide
CID 62877915

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide (CID 175110293) is 1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1C(=O)/C=C/c1cn(-c2ccccc2)nc1C1CCCC1.
What is the InChIKey of 1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide?
The InChIKey is AMWYXJCTTDZOIW-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H28N4O2/c24-23(29)20-12-6-7-15-26(20)21(28)14-13-18-16-27(19-10-2-1-3-11-19)25-22(18)17-8-4-5-9-17/h1-3,10-11,13-14,16-17,20H,4-9,12,15H2,(H2,24,29)/b14-13+.
What are the key properties of 1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide?
1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(3-cyclopentyl-1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxamide is sourced from PubChem (CID 175110293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).