N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide

C29H33FN4O2 — CID 45228845

IUPACN-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(Cc2ccccc2)C2CCN(C(=O)/C(F)=C/c3ccccc3)CC2)n(C)n1
InChIInChI=1S/C29H33FN4O2/c1-21-18-27(33(3)31-21)29(36)32(2)26(20-23-12-8-5-9-13-23)24-14-16-34(17-15-24)28(35)25(30)19-22-10-6-4-7-11-22/h4-13,18-19,24,26H,14-17,20H2,1-3H3/b25-19-
InChIKeyRACCTOJWTURFDE-PLRJNAJWSA-N
MW488.61 g/mol
LogP4.66
Rot. Bonds7

About N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide

N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 45228845) has the molecular formula C29H33FN4O2 and a molecular weight of 488.61 g/mol. Its IUPAC name is N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID45228845
Molecular FormulaC29H33FN4O2
Molecular Weight488.61 g/mol
Exact Mass488.26
IUPAC NameN-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(Cc2ccccc2)C2CCN(C(=O)/C(F)=C/c3ccccc3)CC2)n(C)n1
InChIInChI=1S/C29H33FN4O2/c1-21-18-27(33(3)31-21)29(36)32(2)26(20-23-12-8-5-9-13-23)24-14-16-34(17-15-24)28(35)25(30)19-22-10-6-4-7-11-22/h4-13,18-19,24,26H,14-17,20H2,1-3H3/b25-19-
InChIKeyRACCTOJWTURFDE-PLRJNAJWSA-N
XLogP4.66
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide (CID 45228845) is N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C(Cc2ccccc2)C2CCN(C(=O)/C(F)=C/c3ccccc3)CC2)n(C)n1.
What is the InChIKey of N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is RACCTOJWTURFDE-PLRJNAJWSA-N. The full InChI is InChI=1S/C29H33FN4O2/c1-21-18-27(33(3)31-21)29(36)32(2)26(20-23-12-8-5-9-13-23)24-14-16-34(17-15-24)28(35)25(30)19-22-10-6-4-7-11-22/h4-13,18-19,24,26H,14-17,20H2,1-3H3/b25-19-.
What are the key properties of N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide?
N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(Z)-2-fluoro-3-phenylprop-2-enoyl]piperidin-4-yl]-2-phenylethyl]-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 45228845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).