1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide

C28H28N4O3 — CID 140907568

IUPAC1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3C3C=CC=C3)CC2)cc1
InChIInChI=1S/C28H28N4O3/c1-35-24-13-11-22(12-14-24)30-27(33)21-15-17-31(18-16-21)28(34)25-19-29-32(23-9-3-2-4-10-23)26(25)20-7-5-6-8-20/h2-14,19-21H,15-18H2,1H3,(H,30,33)
InChIKeyAMZGMFLWOKQGRI-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.58
Rot. Bonds6

About 1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide

1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 140907568) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
PubChem CID140907568
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3C3C=CC=C3)CC2)cc1
InChIInChI=1S/C28H28N4O3/c1-35-24-13-11-22(12-14-24)30-27(33)21-15-17-31(18-16-21)28(34)25-19-29-32(23-9-3-2-4-10-23)26(25)20-7-5-6-8-20/h2-14,19-21H,15-18H2,1H3,(H,30,33)
InChIKeyAMZGMFLWOKQGRI-UHFFFAOYSA-N
XLogP4.58
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
CID 53004626
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
1-(2-chlorobenzoyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17223510
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
tert-butyl 4-[4-[(4-methoxyphenyl)methylcarbamoyl]-1-phenylpyrazol-5-yl]piperidine-1-carboxylate
CID 122175656
benzyl 4-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365770
4-N-(4-methoxyphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428723
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588
1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 46664061

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide (CID 140907568) is 1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3C3C=CC=C3)CC2)cc1.
What is the InChIKey of 1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is AMZGMFLWOKQGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-35-24-13-11-22(12-14-24)30-27(33)21-15-17-31(18-16-21)28(34)25-19-29-32(23-9-3-2-4-10-23)26(25)20-7-5-6-8-20/h2-14,19-21H,15-18H2,1H3,(H,30,33).
What are the key properties of 1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide?
1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopenta-2,4-dien-1-yl-1-phenylpyrazole-4-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 140907568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).