N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide

C17H21F2N3O — CID 138004346

IUPACN-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCC3CCNCC3(F)F)c[nH]c2c1
InChIInChI=1S/C17H21F2N3O/c1-11-2-3-14-12(8-21-15(14)6-11)7-16(23)22-9-13-4-5-20-10-17(13,18)19/h2-3,6,8,13,20-21H,4-5,7,9-10H2,1H3,(H,22,23)
InChIKeyABKLONJGPANICG-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.38
Rot. Bonds4

About N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide

N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide (PubChem CID 138004346) has the molecular formula C17H21F2N3O and a molecular weight of 321.37 g/mol. Its IUPAC name is N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
PubChem CID138004346
Molecular FormulaC17H21F2N3O
Molecular Weight321.37 g/mol
Exact Mass321.17
IUPAC NameN-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NCC3CCNCC3(F)F)c[nH]c2c1
InChIInChI=1S/C17H21F2N3O/c1-11-2-3-14-12(8-21-15(14)6-11)7-16(23)22-9-13-4-5-20-10-17(13,18)19/h2-3,6,8,13,20-21H,4-5,7,9-10H2,1H3,(H,22,23)
InChIKeyABKLONJGPANICG-UHFFFAOYSA-N
XLogP2.38
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 111459680
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 71879976
N-[(1-hydroxycyclobutyl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 111444945
methyl 2-(6-methyl-1H-indol-3-yl)acetate
CID 58828790
2-(6-fluoro-1H-indol-3-yl)-N-piperidin-4-ylacetamide
CID 138004293
2-(6-fluoro-1H-indol-3-yl)-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 111464326
N-(4-cyclohexylphenyl)sulfonyl-2-(6-methyl-1H-indol-3-yl)acetamide
CID 166182822
1-[4-[(6-methyl-1H-indol-3-yl)methyl]piperidin-1-yl]ethanone
CID 146409555
2-[(6-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84625328
2-(4-methylphenyl)-N-(piperidin-4-ylmethyl)acetamide
CID 43152403
N-methyl-1-(6-methyl-1H-indol-3-yl)methanamine
CID 68579797
2-[[2-(5-methyl-1H-indol-3-yl)acetyl]amino]acetic acid
CID 110835976

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide (CID 138004346) is N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide is Cc1ccc2c(CC(=O)NCC3CCNCC3(F)F)c[nH]c2c1.
What is the InChIKey of N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide?
The InChIKey is ABKLONJGPANICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O/c1-11-2-3-14-12(8-21-15(14)6-11)7-16(23)22-9-13-4-5-20-10-17(13,18)19/h2-3,6,8,13,20-21H,4-5,7,9-10H2,1H3,(H,22,23).
What are the key properties of N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide?
N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide has a molecular weight of 321.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 138004346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).