N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide

C27H30N4O3 — CID 55692259

IUPACN-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C27H30N4O3/c1-19-25(20(2)31(29-19)23-11-7-4-8-12-23)26(33)27(34)30-17-15-22(16-18-30)28-24(32)14-13-21-9-5-3-6-10-21/h3-12,22H,13-18H2,1-2H3,(H,28,32)
InChIKeyHGOXDUFOIPFYJO-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.41
Rot. Bonds7

About N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide

N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide (PubChem CID 55692259) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide
PubChem CID55692259
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C27H30N4O3/c1-19-25(20(2)31(29-19)23-11-7-4-8-12-23)26(33)27(34)30-17-15-22(16-18-30)28-24(32)14-13-21-9-5-3-6-10-21/h3-12,22H,13-18H2,1-2H3,(H,28,32)
InChIKeyHGOXDUFOIPFYJO-UHFFFAOYSA-N
XLogP3.41
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide 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-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperidin-4-yl]-3-phenylpropanamide
CID 46455348
N-[1-(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 46455345
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134000256
(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559904
1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779183
N-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55874101
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705512
N-[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692508
ethyl 4-[(3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 6623485
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethane-1,2-dione
CID 27661508

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide (CID 55692259) is N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is HGOXDUFOIPFYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-19-25(20(2)31(29-19)23-11-7-4-8-12-23)26(33)27(34)30-17-15-22(16-18-30)28-24(32)14-13-21-9-5-3-6-10-21/h3-12,22H,13-18H2,1-2H3,(H,28,32).
What are the key properties of N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide?
N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 458.56 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 55692259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).