4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

C21H31FN4O2 — CID 46027234

IUPAC4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC(C)NC(=O)C(C1CCCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H31FN4O2/c1-15(2)23-20(27)19(16-5-3-4-6-16)25-11-13-26(14-12-25)21(28)24-18-9-7-17(22)8-10-18/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyILPLIZYPPMSCQA-UHFFFAOYSA-N
MW390.50 g/mol
LogP3.06
Rot. Bonds5

About 4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide

4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 46027234) has the molecular formula C21H31FN4O2 and a molecular weight of 390.50 g/mol. Its IUPAC name is 4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID46027234
Molecular FormulaC21H31FN4O2
Molecular Weight390.50 g/mol
Exact Mass390.24
IUPAC Name4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESCC(C)NC(=O)C(C1CCCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H31FN4O2/c1-15(2)23-20(27)19(16-5-3-4-6-16)25-11-13-26(14-12-25)21(28)24-18-9-7-17(22)8-10-18/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyILPLIZYPPMSCQA-UHFFFAOYSA-N
XLogP3.06
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 46027234) is 4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is CC(C)NC(=O)C(C1CCCC1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is ILPLIZYPPMSCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O2/c1-15(2)23-20(27)19(16-5-3-4-6-16)25-11-13-26(14-12-25)21(28)24-18-9-7-17(22)8-10-18/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 390.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 46027234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).