N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide

C20H24FN3O — CID 92757467

IUPACN-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)cc1F
InChIInChI=1S/C20H24FN3O/c1-15-8-9-18(14-19(15)21)22-20(25)24-12-10-23(11-13-24)16(2)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyUXHZWJKPHXBORA-INIZCTEOSA-N
MW341.43 g/mol
LogP4.04
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide

N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide (PubChem CID 92757467) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide
PubChem CID92757467
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)cc1F
InChIInChI=1S/C20H24FN3O/c1-15-8-9-18(14-19(15)21)22-20(25)24-12-10-23(11-13-24)16(2)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyUXHZWJKPHXBORA-INIZCTEOSA-N
XLogP4.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide
CID 46100821
N-(3,4-dimethylphenyl)-4-(1-phenylethyl)piperazine-1-carbothioamide
CID 3771524
N-(3-fluoro-4-methylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide
CID 17087629
1-(3-fluoro-4-methylphenyl)-3-(1-phenylethyl)urea
CID 17087618
N-[4-(cyanomethyl)phenyl]-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide
CID 92757626
N-(3-fluoro-4-methylphenyl)-2,2-diphenylacetamide
CID 676006
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
N-(3-fluoro-4-methylphenyl)-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 17087632
N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 86987031
4-butan-2-yl-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113104199
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide (CID 92757467) is N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide?
The InChIKey is UXHZWJKPHXBORA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-15-8-9-18(14-19(15)21)22-20(25)24-12-10-23(11-13-24)16(2)17-6-4-3-5-7-17/h3-9,14,16H,10-13H2,1-2H3,(H,22,25)/t16-/m0/s1.
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide?
N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-[(1S)-1-phenylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 92757467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).