4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide

C24H34FN5O3 — CID 93221443

IUPAC4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)Nc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C24H34FN5O3/c1-18(31)27-9-13-29(14-10-27)23(32)22(19-5-2-3-6-19)28-11-15-30(16-12-28)24(33)26-21-8-4-7-20(25)17-21/h4,7-8,17,19,22H,2-3,5-6,9-16H2,1H3,(H,26,33)/t22-/m1/s1
InChIKeySZOMAOFCIVBNML-JOCHJYFZSA-N
MW459.57 g/mol
LogP2.22
Rot. Bonds4

About 4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide

4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 93221443) has the molecular formula C24H34FN5O3 and a molecular weight of 459.57 g/mol. Its IUPAC name is 4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID93221443
Molecular FormulaC24H34FN5O3
Molecular Weight459.57 g/mol
Exact Mass459.26
IUPAC Name4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)Nc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C24H34FN5O3/c1-18(31)27-9-13-29(14-10-27)23(32)22(19-5-2-3-6-19)28-11-15-30(16-12-28)24(33)26-21-8-4-7-20(25)17-21/h4,7-8,17,19,22H,2-3,5-6,9-16H2,1H3,(H,26,33)/t22-/m1/s1
InChIKeySZOMAOFCIVBNML-JOCHJYFZSA-N
XLogP2.22
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221394
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-chlorophenyl)-4-[(1R)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 93221455
(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 93222066
2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 42843657
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
CID 42843656
4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
4-[(1S)-1-cyclopentyl-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 93221214
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
4-[(1R)-1-cyclopentyl-2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 93221296
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)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide (CID 93221443) is 4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)[C@@H](C2CCCC2)N2CCN(C(=O)Nc3cccc(F)c3)CC2)CC1.
What is the InChIKey of 4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is SZOMAOFCIVBNML-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H34FN5O3/c1-18(31)27-9-13-29(14-10-27)23(32)22(19-5-2-3-6-19)28-11-15-30(16-12-28)24(33)26-21-8-4-7-20(25)17-21/h4,7-8,17,19,22H,2-3,5-6,9-16H2,1H3,(H,26,33)/t22-/m1/s1.
What are the key properties of 4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide?
4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 93221443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).