N-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide

C22H22FN3O — CID 11660560

IUPACN-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H22FN3O/c23-20-7-9-21(10-8-20)24-22(27)26-13-11-25(12-14-26)16-17-5-6-18-3-1-2-4-19(18)15-17/h1-10,15H,11-14,16H2,(H,24,27)
InChIKeyCWISUMPTJOGLIV-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.33
Rot. Bonds3

About N-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide

N-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 11660560) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide
PubChem CID11660560
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C22H22FN3O/c23-20-7-9-21(10-8-20)24-22(27)26-13-11-25(12-14-26)16-17-5-6-18-3-1-2-4-19(18)15-17/h1-10,15H,11-14,16H2,(H,24,27)
InChIKeyCWISUMPTJOGLIV-UHFFFAOYSA-N
XLogP4.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-{2-[Ethyl(3-methylphenyl)amino]ethyl}-1-naphthalen-1-ylurea
CID 24768230
N-{3-fluoro-5-[({1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidin-4-yl}formamido)methyl]phenyl}-4-methylpiperazine-1-carboxamide
CID 155925847
N-(2-fluorophenyl)-N'-(1,2,3,4-tetrahydro-1-naphthalenyl)urea
CID 2812537
N-(1-Naphthyl)-4-phenyl-1-piperazinecarboxamide
CID 258849
4-Benzyl-N-(1-naphthyl)-1-piperazinecarboxamide
CID 796895
N-(1-Naphthyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
CID 2901712
(3R,4R)-3-amino-N-phenyl-4-(2,4,5-trifluorophenyl)piperidine-1-carboxamide
CID 16202915
N-[2-[1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]naphthalene-2-carboxamide
CID 131635533
4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 732316
Urea, N-[(2,5-dimethylphenyl)methyl]-N'-phenyl-
CID 2337854
N-(2,4-dimethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 24127759
N-(2-fluorophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 24818437

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide (CID 11660560) is N-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is CWISUMPTJOGLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-20-7-9-21(10-8-20)24-22(27)26-13-11-25(12-14-26)16-17-5-6-18-3-1-2-4-19(18)15-17/h1-10,15H,11-14,16H2,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide?
N-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(naphthalen-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 11660560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).