4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide

C23H34FN5O2 — CID 78892291

IUPAC4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C23H34FN5O2/c24-20-5-7-21(8-6-20)27-13-11-26(12-14-27)10-9-25-23(31)29-17-15-28(16-18-29)22(30)19-3-1-2-4-19/h5-8,19H,1-4,9-18H2,(H,25,31)
InChIKeyXMRJOMSHZFYLDG-UHFFFAOYSA-N
MW431.56 g/mol
LogP1.99
Rot. Bonds5

About 4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide

4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide (PubChem CID 78892291) has the molecular formula C23H34FN5O2 and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
PubChem CID78892291
Molecular FormulaC23H34FN5O2
Molecular Weight431.56 g/mol
Exact Mass431.27
IUPAC Name4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C23H34FN5O2/c24-20-5-7-21(8-6-20)27-13-11-26(12-14-27)10-9-25-23(31)29-17-15-28(16-18-29)22(30)19-3-1-2-4-19/h5-8,19H,1-4,9-18H2,(H,25,31)
InChIKeyXMRJOMSHZFYLDG-UHFFFAOYSA-N
XLogP1.99
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
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N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-fluoro-4-(4-fluorophenyl)benzamide
CID 86944988
N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3-(2-fluoroethyl)piperidine-1-carboxamide
CID 138032880
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxamide
CID 86869220
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N-butyl-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109145085
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 86944940
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide (CID 78892291) is 4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide is O=C(NCCN1CCN(c2ccc(F)cc2)CC1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is XMRJOMSHZFYLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN5O2/c24-20-5-7-21(8-6-20)27-13-11-26(12-14-27)10-9-25-23(31)29-17-15-28(16-18-29)22(30)19-3-1-2-4-19/h5-8,19H,1-4,9-18H2,(H,25,31).
What are the key properties of 4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide?
4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentanecarbonyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 78892291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).