N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide

C11H20FN3O — CID 126768727

IUPACN-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2CCC(F)C2)CC1
InChIInChI=1S/C11H20FN3O/c1-14-4-6-15(7-5-14)11(16)13-10-3-2-9(12)8-10/h9-10H,2-8H2,1H3,(H,13,16)
InChIKeyNACHKKDLFMUWAQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.83
Rot. Bonds1

About N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide

N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide (PubChem CID 126768727) has the molecular formula C11H20FN3O and a molecular weight of 229.30 g/mol. Its IUPAC name is N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide
PubChem CID126768727
Molecular FormulaC11H20FN3O
Molecular Weight229.30 g/mol
Exact Mass229.16
IUPAC NameN-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2CCC(F)C2)CC1
InChIInChI=1S/C11H20FN3O/c1-14-4-6-15(7-5-14)11(16)13-10-3-2-9(12)8-10/h9-10H,2-8H2,1H3,(H,13,16)
InChIKeyNACHKKDLFMUWAQ-UHFFFAOYSA-N
XLogP0.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide (CID 126768727) is N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NC2CCC(F)C2)CC1.
What is the InChIKey of N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is NACHKKDLFMUWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3O/c1-14-4-6-15(7-5-14)11(16)13-10-3-2-9(12)8-10/h9-10H,2-8H2,1H3,(H,13,16).
What are the key properties of N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide?
N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 229.30 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclopentyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 126768727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).