4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide

C23H33FN4O2 — CID 93221394

IUPAC4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCN([C@@H](C(=O)N2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C23H33FN4O2/c24-19-9-6-10-20(17-19)25-23(30)28-15-13-26(14-16-28)21(18-7-2-3-8-18)22(29)27-11-4-1-5-12-27/h6,9-10,17-18,21H,1-5,7-8,11-16H2,(H,25,30)/t21-/m1/s1
InChIKeyQNKCRMJHOVPTQE-OAQYLSRUSA-N
MW416.54 g/mol
LogP3.55
Rot. Bonds4

About 4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide

4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 93221394) has the molecular formula C23H33FN4O2 and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID93221394
Molecular FormulaC23H33FN4O2
Molecular Weight416.54 g/mol
Exact Mass416.26
IUPAC Name4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(F)c1)N1CCN([C@@H](C(=O)N2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C23H33FN4O2/c24-19-9-6-10-20(17-19)25-23(30)28-15-13-26(14-16-28)21(18-7-2-3-8-18)22(29)27-11-4-1-5-12-27/h6,9-10,17-18,21H,1-5,7-8,11-16H2,(H,25,30)/t21-/m1/s1
InChIKeyQNKCRMJHOVPTQE-OAQYLSRUSA-N
XLogP3.55
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221443
4-[(1S)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221460
N-(3-chlorophenyl)-4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 46027273
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 93222066
N-(3-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 93221455
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
CID 42843656
2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 42843657
4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
4-(1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46027343

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide (CID 93221394) is 4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide is O=C(Nc1cccc(F)c1)N1CCN([C@@H](C(=O)N2CCCCC2)C2CCCC2)CC1.
What is the InChIKey of 4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is QNKCRMJHOVPTQE-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H33FN4O2/c24-19-9-6-10-20(17-19)25-23(30)28-15-13-26(14-16-28)21(18-7-2-3-8-18)22(29)27-11-4-1-5-12-27/h6,9-10,17-18,21H,1-5,7-8,11-16H2,(H,25,30)/t21-/m1/s1.
What are the key properties of 4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 93221394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).