N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide

C19H22FN3O — CID 4521952

IUPACN-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3cccc(F)c3)CC2C)c1
InChIInChI=1S/C19H22FN3O/c1-14-5-3-8-18(11-14)23-10-9-22(13-15(23)2)19(24)21-17-7-4-6-16(20)12-17/h3-8,11-12,15H,9-10,13H2,1-2H3,(H,21,24)
InChIKeyNJNOSAOJASTBON-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.88
Rot. Bonds2

About N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide

N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 4521952) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID4521952
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3cccc(F)c3)CC2C)c1
InChIInChI=1S/C19H22FN3O/c1-14-5-3-8-18(11-14)23-10-9-22(13-15(23)2)19(24)21-17-7-4-6-16(20)12-17/h3-8,11-12,15H,9-10,13H2,1-2H3,(H,21,24)
InChIKeyNJNOSAOJASTBON-UHFFFAOYSA-N
XLogP3.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(3-methylphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 3322632
N-(5-chloro-2-methylphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 3330309
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 58866514
(3R)-3-methyl-4-(4-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 2207731
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N-(3,4-dichlorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carbothioamide
CID 23910009
4-(3,4-dimethylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113111648
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
(3-bromophenyl)-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2579914
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069407

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide (CID 4521952) is N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)Nc3cccc(F)c3)CC2C)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is NJNOSAOJASTBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-14-5-3-8-18(11-14)23-10-9-22(13-15(23)2)19(24)21-17-7-4-6-16(20)12-17/h3-8,11-12,15H,9-10,13H2,1-2H3,(H,21,24).
What are the key properties of N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide?
N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 4521952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).