1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile

C17H20FN3O — CID 51246196

IUPAC1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(c3ccc(F)cc3)CC2)CCCC1
InChIInChI=1S/C17H20FN3O/c18-14-3-5-15(6-4-14)20-9-11-21(12-10-20)16(22)17(13-19)7-1-2-8-17/h3-6H,1-2,7-12H2
InChIKeyILHCCUKKCQDCDN-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.56
Rot. Bonds2

About 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile

1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 51246196) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID51246196
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC Name1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCN(c3ccc(F)cc3)CC2)CCCC1
InChIInChI=1S/C17H20FN3O/c18-14-3-5-15(6-4-14)20-9-11-21(12-10-20)16(22)17(13-19)7-1-2-8-17/h3-6H,1-2,7-12H2
InChIKeyILHCCUKKCQDCDN-UHFFFAOYSA-N
XLogP2.56
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 78994262
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 111434256
[1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763134
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 108973934
1-[4-(1-cyanocyclopropanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carbonitrile
CID 118199294
1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclobutane-1-carbonitrile
CID 78994794
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanenitrile
CID 82121619
N-(2-cyanophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978245
1-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 33168655
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 37435722
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile (CID 51246196) is 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile is N#CC1(C(=O)N2CCN(c3ccc(F)cc3)CC2)CCCC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is ILHCCUKKCQDCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c18-14-3-5-15(6-4-14)20-9-11-21(12-10-20)16(22)17(13-19)7-1-2-8-17/h3-6H,1-2,7-12H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 301.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 51246196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).