1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide

C19H26FN3O2 — CID 108971218

IUPAC1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)CNC(=O)C1(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C19H26FN3O2/c1-14(2)13-21-17(24)19(7-8-19)18(25)23-11-9-22(10-12-23)16-5-3-15(20)4-6-16/h3-6,14H,7-13H2,1-2H3,(H,21,24)
InChIKeyOGVJWSNGAWSBHM-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.03
Rot. Bonds5

About 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide

1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (PubChem CID 108971218) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
PubChem CID108971218
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
SMILESCC(C)CNC(=O)C1(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C19H26FN3O2/c1-14(2)13-21-17(24)19(7-8-19)18(25)23-11-9-22(10-12-23)16-5-3-15(20)4-6-16/h3-6,14H,7-13H2,1-2H3,(H,21,24)
InChIKeyOGVJWSNGAWSBHM-UHFFFAOYSA-N
XLogP2.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971255
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 108973934
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012594
N-(2,5-dimethylphenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978231
ethyl 4-[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108971227
1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971320
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 8703887
N-(2-cyanophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978245
4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104075
N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
CID 108978238
N-[2-(4-fluorophenyl)ethyl]-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108977459

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide (CID 108971218) is 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide is CC(C)CNC(=O)C1(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
The InChIKey is OGVJWSNGAWSBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-14(2)13-21-17(24)19(7-8-19)18(25)23-11-9-22(10-12-23)16-5-3-15(20)4-6-16/h3-6,14H,7-13H2,1-2H3,(H,21,24).
What are the key properties of 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide?
1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108971218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).