N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide

C14H18FN3O — CID 110469612

IUPACN-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CC1)N1CCNCC1
InChIInChI=1S/C14H18FN3O/c15-12-3-1-11(2-4-12)14(5-6-14)17-13(19)18-9-7-16-8-10-18/h1-4,16H,5-10H2,(H,17,19)
InChIKeyUCUSSJMDICCIGB-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.43
Rot. Bonds2

About N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide

N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide (PubChem CID 110469612) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide
PubChem CID110469612
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide
SMILESO=C(NC1(c2ccc(F)cc2)CC1)N1CCNCC1
InChIInChI=1S/C14H18FN3O/c15-12-3-1-11(2-4-12)14(5-6-14)17-13(19)18-9-7-16-8-10-18/h1-4,16H,5-10H2,(H,17,19)
InChIKeyUCUSSJMDICCIGB-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide (CID 110469612) is N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide is O=C(NC1(c2ccc(F)cc2)CC1)N1CCNCC1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide?
The InChIKey is UCUSSJMDICCIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-12-3-1-11(2-4-12)14(5-6-14)17-13(19)18-9-7-16-8-10-18/h1-4,16H,5-10H2,(H,17,19).
What are the key properties of N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide?
N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopropyl]piperazine-1-carboxamide is sourced from PubChem (CID 110469612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).