N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide

C26H28FN3O — CID 92768345

IUPACN-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide
SMILESCc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)Nc3cc(C)ccc3F)CC2)cc1
InChIInChI=1S/C26H28FN3O/c1-19-8-11-22(12-9-19)25(21-6-4-3-5-7-21)29-14-16-30(17-15-29)26(31)28-24-18-20(2)10-13-23(24)27/h3-13,18,25H,14-17H2,1-2H3,(H,28,31)/t25-/m1/s1
InChIKeyONTCDRIBCUXNAR-RUZDIDTESA-N
MW417.53 g/mol
LogP5.38
Rot. Bonds4

About N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide

N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide (PubChem CID 92768345) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide
PubChem CID92768345
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC NameN-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide
SMILESCc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)Nc3cc(C)ccc3F)CC2)cc1
InChIInChI=1S/C26H28FN3O/c1-19-8-11-22(12-9-19)25(21-6-4-3-5-7-21)29-14-16-30(17-15-29)26(31)28-24-18-20(2)10-13-23(24)27/h3-13,18,25H,14-17H2,1-2H3,(H,28,31)/t25-/m1/s1
InChIKeyONTCDRIBCUXNAR-RUZDIDTESA-N
XLogP5.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-fluoro-5-methylphenyl)piperazine-1-carboxamide
CID 92768972
4-[(4-chlorophenyl)-phenylmethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 46100839
4-[(R)-(4-chlorophenyl)-phenylmethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 92769484
N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
CID 47032428
4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 46100869
4-[bis(4-fluorophenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17171393
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381
2-(4-benzhydrylpiperazin-1-yl)-N-(2,5-difluorophenyl)-2-oxoacetamide
CID 44902244
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 2956120
2-(4-benzhydrylpiperazin-1-yl)-N-(2-hydroxy-5-methylphenyl)-2-oxoacetamide
CID 108504732
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide (CID 92768345) is N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide is Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)Nc3cc(C)ccc3F)CC2)cc1.
What is the InChIKey of N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide?
The InChIKey is ONTCDRIBCUXNAR-RUZDIDTESA-N. The full InChI is InChI=1S/C26H28FN3O/c1-19-8-11-22(12-9-19)25(21-6-4-3-5-7-21)29-14-16-30(17-15-29)26(31)28-24-18-20(2)10-13-23(24)27/h3-13,18,25H,14-17H2,1-2H3,(H,28,31)/t25-/m1/s1.
What are the key properties of N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide?
N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylphenyl)-4-[(R)-(4-methylphenyl)-phenylmethyl]piperazine-1-carboxamide is sourced from PubChem (CID 92768345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).