N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide

About N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 55842848) has the molecular formula C22H28FN5O3S and a molecular weight of 461.56 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name	N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID	55842848
Molecular Formula	C22H28FN5O3S
Molecular Weight	461.56 g/mol
Exact Mass	461.19
IUPAC Name	N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide
SMILES	Cc1csc(CC(=O)NNC(=O)CN2CCC(C(=O)NCCc3ccccc3F)CC2)n1
InChI	InChI=1S/C22H28FN5O3S/c1-15-14-32-21(25-15)12-19(29)26-27-20(30)13-28-10-7-17(8-11-28)22(31)24-9-6-16-4-2-3-5-18(16)23/h2-5,14,17H,6-13H2,1H3,(H,24,31)(H,26,29)(H,27,30)
InChIKey	UIXORXVUTQOUAT-UHFFFAOYSA-N
XLogP	1.35
TPSA	103.43 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.56
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide?

The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide (CID 55842848) is N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide?

The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide is Cc1csc(CC(=O)NNC(=O)CN2CCC(C(=O)NCCc3ccccc3F)CC2)n1.

What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide?

The InChIKey is UIXORXVUTQOUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O3S/c1-15-14-32-21(25-15)12-19(29)26-27-20(30)13-28-10-7-17(8-11-28)22(31)24-9-6-16-4-2-3-5-18(16)23/h2-5,14,17H,6-13H2,1H3,(H,24,31)(H,26,29)(H,27,30).

What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide?

N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55842848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).