N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide

C17H21F2N3O — CID 72862845

IUPACN-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide
SMILESCCn1c(C)cc2cc(NC(=O)N3CCC(F)(F)CC3)ccc21
InChIInChI=1S/C17H21F2N3O/c1-3-22-12(2)10-13-11-14(4-5-15(13)22)20-16(23)21-8-6-17(18,19)7-9-21/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,23)
InChIKeyYNSUNKJYWASOMQ-UHFFFAOYSA-N
MW321.37 g/mol
LogP4.23
Rot. Bonds2

About N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide

N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide (PubChem CID 72862845) has the molecular formula C17H21F2N3O and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide
PubChem CID72862845
Molecular FormulaC17H21F2N3O
Molecular Weight321.37 g/mol
Exact Mass321.17
IUPAC NameN-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide
SMILESCCn1c(C)cc2cc(NC(=O)N3CCC(F)(F)CC3)ccc21
InChIInChI=1S/C17H21F2N3O/c1-3-22-12(2)10-13-11-14(4-5-15(13)22)20-16(23)21-8-6-17(18,19)7-9-21/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,23)
InChIKeyYNSUNKJYWASOMQ-UHFFFAOYSA-N
XLogP4.23
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-ethyl-2-methylindol-5-yl)propanamide
CID 131907510
N-(1-ethyl-2-methylindol-5-yl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 118794893
N-(1-ethyl-2-methylindol-5-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131932657
4,4-difluoro-N-[4-methoxy-3-(propanoylamino)phenyl]piperidine-1-carboxamide
CID 118788124
N-(1-ethyl-2-methylindol-5-yl)-5-oxopyrrolidine-2-carboxamide
CID 131891608
N-[3-(butanoylamino)phenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118768211
1-(1-ethyl-2-methylindol-5-yl)-3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 118782846
N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
CID 171854817
N-(1-ethyl-2-methylindol-5-yl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 131945031
N-(1-ethyl-2-methylindol-5-yl)-3-(1-methylpiperidin-2-yl)propanamide
CID 131946875
N-[3-(cyclopentanecarbonylamino)-4-methylphenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118785738
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118766001

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide?
The IUPAC name of N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide (CID 72862845) is N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide.
What is the SMILES notation for N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide?
The canonical SMILES for N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide is CCn1c(C)cc2cc(NC(=O)N3CCC(F)(F)CC3)ccc21.
What is the InChIKey of N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide?
The InChIKey is YNSUNKJYWASOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N3O/c1-3-22-12(2)10-13-11-14(4-5-15(13)22)20-16(23)21-8-6-17(18,19)7-9-21/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,23).
What are the key properties of N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide?
N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide has a molecular weight of 321.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide is sourced from PubChem (CID 72862845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).