N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide

C26H28FN3O — CID 177268874

IUPACN-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide
SMILESCc1ccc(NC2CCNCC2)cc1C(=O)NC1(c2ccc(F)c3ccccc23)CC1
InChIInChI=1S/C26H28FN3O/c1-17-6-7-19(29-18-10-14-28-15-11-18)16-22(17)25(31)30-26(12-13-26)23-8-9-24(27)21-5-3-2-4-20(21)23/h2-9,16,18,28-29H,10-15H2,1H3,(H,30,31)
InChIKeyGEEWKPTXCPWAOL-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.87
Rot. Bonds5

About N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide

N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide (PubChem CID 177268874) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide
PubChem CID177268874
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC NameN-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide
SMILESCc1ccc(NC2CCNCC2)cc1C(=O)NC1(c2ccc(F)c3ccccc23)CC1
InChIInChI=1S/C26H28FN3O/c1-17-6-7-19(29-18-10-14-28-15-11-18)16-22(17)25(31)30-26(12-13-26)23-8-9-24(27)21-5-3-2-4-20(21)23/h2-9,16,18,28-29H,10-15H2,1H3,(H,30,31)
InChIKeyGEEWKPTXCPWAOL-UHFFFAOYSA-N
XLogP4.87
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193130
5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide
CID 177268956
5-(3-acetamidoanilino)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174193131
N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-methylazetidin-3-yl)amino]benzamide
CID 177269146
5-fluoro-2-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389522
5-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methylbenzamide
CID 177268881
2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177268938
N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177268795
N-[1-(8-fluoroquinolin-5-yl)cyclopropyl]-2-methyl-5-[methyl-(1-propan-2-ylazetidin-3-yl)amino]benzamide
CID 177269026
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269126
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174194684
2-methyl-N-(1-quinolin-4-ylcyclopropyl)-5-[3-(trifluoromethyl)azetidin-1-yl]benzamide
CID 177268952

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide?
The IUPAC name of N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide (CID 177268874) is N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide.
What is the SMILES notation for N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide?
The canonical SMILES for N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide is Cc1ccc(NC2CCNCC2)cc1C(=O)NC1(c2ccc(F)c3ccccc23)CC1.
What is the InChIKey of N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide?
The InChIKey is GEEWKPTXCPWAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c1-17-6-7-19(29-18-10-14-28-15-11-18)16-22(17)25(31)30-26(12-13-26)23-8-9-24(27)21-5-3-2-4-20(21)23/h2-9,16,18,28-29H,10-15H2,1H3,(H,30,31).
What are the key properties of N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide?
N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide has a molecular weight of 417.53 g/mol, XLogP of 4.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoronaphthalen-1-yl)cyclopropyl]-2-methyl-5-(piperidin-4-ylamino)benzamide is sourced from PubChem (CID 177268874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).