methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate

C23H24N4O3 — CID 47897961

IUPACmethyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC1
InChIInChI=1S/C23H24N4O3/c1-30-23(29)26-14-11-19(12-15-26)25-22(28)18-8-5-9-20(16-18)27-21(10-13-24-27)17-6-3-2-4-7-17/h2-10,13,16,19H,11-12,14-15H2,1H3,(H,25,28)
InChIKeyKFYOLTYDAASQMO-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.50
Rot. Bonds4

About methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate

methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 47897961) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID47897961
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Namemethyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC1
InChIInChI=1S/C23H24N4O3/c1-30-23(29)26-14-11-19(12-15-26)25-22(28)18-8-5-9-20(16-18)27-21(10-13-24-27)17-6-3-2-4-7-17/h2-10,13,16,19H,11-12,14-15H2,1H3,(H,25,28)
InChIKeyKFYOLTYDAASQMO-UHFFFAOYSA-N
XLogP3.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-oxothiolan-3-yl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 71864177
3-(5-phenylpyrazol-1-yl)benzoic acid
CID 16773226
methyl 4-[(3-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392498
3-[3-(5-phenylpyrazol-1-yl)phenyl]benzoic acid
CID 118577261
N-(2-hydroxypropyl)-3-(5-phenylpyrazol-1-yl)benzamide
CID 110906604
[3-(5-phenylpyrazol-1-yl)phenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551199
N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(5-phenylpyrazol-1-yl)benzamide
CID 95591250
N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000751
methyl 4-[(3-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 86841427
(4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
CID 122149167
N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 136580010
methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
CID 108561371

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate (CID 47897961) is methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC1.
What is the InChIKey of methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is KFYOLTYDAASQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-30-23(29)26-14-11-19(12-15-26)25-22(28)18-8-5-9-20(16-18)27-21(10-13-24-27)17-6-3-2-4-7-17/h2-10,13,16,19H,11-12,14-15H2,1H3,(H,25,28).
What are the key properties of methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate?
methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(5-phenylpyrazol-1-yl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 47897961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).