N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide

C14H17F2N3O — CID 113081283

IUPACN-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C14H17F2N3O/c15-11-2-1-3-12(16)13(11)18-6-8-19(9-7-18)14(20)17-10-4-5-10/h1-3,10H,4-9H2,(H,17,20)
InChIKeyBYCUSNCRZHCKTH-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.96
Rot. Bonds2

About N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide

N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide (PubChem CID 113081283) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
PubChem CID113081283
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC NameN-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C14H17F2N3O/c15-11-2-1-3-12(16)13(11)18-6-8-19(9-7-18)14(20)17-10-4-5-10/h1-3,10H,4-9H2,(H,17,20)
InChIKeyBYCUSNCRZHCKTH-UHFFFAOYSA-N
XLogP1.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113081399
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215
N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113110475
N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide
CID 47784765
N-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 97055401
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113104407
4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 113103755
N-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-5-oxo-1,4-diazepane-1-carboxamide
CID 97076609
N-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113103949
N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide (CID 113081283) is N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide is O=C(NC1CC1)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is BYCUSNCRZHCKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c15-11-2-1-3-12(16)13(11)18-6-8-19(9-7-18)14(20)17-10-4-5-10/h1-3,10H,4-9H2,(H,17,20).
What are the key properties of N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113081283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).