5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide

C20H30FN3O — CID 71998961

IUPAC5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide
SMILESCc1ccc(F)cc1C(=O)NCC1(N2CCCCC2)CCN(C)CC1
InChIInChI=1S/C20H30FN3O/c1-16-6-7-17(21)14-18(16)19(25)22-15-20(8-12-23(2)13-9-20)24-10-4-3-5-11-24/h6-7,14H,3-5,8-13,15H2,1-2H3,(H,22,25)
InChIKeyFYFSBMAJBMXECN-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.81
Rot. Bonds4

About 5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide

5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 71998961) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide
PubChem CID71998961
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide
SMILESCc1ccc(F)cc1C(=O)NCC1(N2CCCCC2)CCN(C)CC1
InChIInChI=1S/C20H30FN3O/c1-16-6-7-17(21)14-18(16)19(25)22-15-20(8-12-23(2)13-9-20)24-10-4-3-5-11-24/h6-7,14H,3-5,8-13,15H2,1-2H3,(H,22,25)
InChIKeyFYFSBMAJBMXECN-UHFFFAOYSA-N
XLogP2.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dimethylpiperidin-4-yl)-5-fluoro-2-methylbenzamide
CID 134434469
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide
CID 113294793
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
3-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide;trihydrochloride
CID 119903541
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162857
5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]benzamide
CID 120646901
1-[2-(2,5-difluorophenyl)ethyl]-2-methyl-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111990276
3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505026
5-amino-2-methyl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]benzamide
CID 120643871
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine
CID 111497487
4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438299
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide (CID 71998961) is 5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide is Cc1ccc(F)cc1C(=O)NCC1(N2CCCCC2)CCN(C)CC1.
What is the InChIKey of 5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is FYFSBMAJBMXECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-16-6-7-17(21)14-18(16)19(25)22-15-20(8-12-23(2)13-9-20)24-10-4-3-5-11-24/h6-7,14H,3-5,8-13,15H2,1-2H3,(H,22,25).
What are the key properties of 5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide?
5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 347.48 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 71998961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).