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

C14H18FN3O — CID 47127339

IUPACN-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FN3O/c15-11-1-5-13(6-2-11)17-7-9-18(10-8-17)14(19)16-12-3-4-12/h1-2,5-6,12H,3-4,7-10H2,(H,16,19)
InChIKeyXOZXDSAWKYYYFI-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.82
Rot. Bonds2

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

N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 47127339) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID47127339
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC NameN-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NC1CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FN3O/c15-11-1-5-13(6-2-11)17-7-9-18(10-8-17)14(19)16-12-3-4-12/h1-2,5-6,12H,3-4,7-10H2,(H,16,19)
InChIKeyXOZXDSAWKYYYFI-UHFFFAOYSA-N
XLogP1.82
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(cyclopropylamino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 53369031
N-cyclopropyl-4-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113081399
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
4-(4-fluorophenyl)-N-(2-oxothiolan-3-yl)piperazine-1-carboxamide
CID 110184731
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113081283
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
N-cyclopropyl-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113075647
methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate
CID 113104537
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 47127339) is N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide is O=C(NC1CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is XOZXDSAWKYYYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-11-1-5-13(6-2-11)17-7-9-18(10-8-17)14(19)16-12-3-4-12/h1-2,5-6,12H,3-4,7-10H2,(H,16,19).
What are the key properties of N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 47127339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).