N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide

C21H28FN3O2 — CID 42245388

IUPACN-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCCc1[nH]c2c(CNC(=O)CCCN3CCCCC3=O)cc(F)cc2c1C
InChIInChI=1S/C21H28FN3O2/c1-3-18-14(2)17-12-16(22)11-15(21(17)24-18)13-23-19(26)7-6-10-25-9-5-4-8-20(25)27/h11-12,24H,3-10,13H2,1-2H3,(H,23,26)
InChIKeyLKKRBDCKXGGDOU-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.59
Rot. Bonds7

About N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide

N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide (PubChem CID 42245388) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide.

Molecular Properties

Compound NameN-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
PubChem CID42245388
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC NameN-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
SMILESCCc1[nH]c2c(CNC(=O)CCCN3CCCCC3=O)cc(F)cc2c1C
InChIInChI=1S/C21H28FN3O2/c1-3-18-14(2)17-12-16(22)11-15(21(17)24-18)13-23-19(26)7-6-10-25-9-5-4-8-20(25)27/h11-12,24H,3-10,13H2,1-2H3,(H,23,26)
InChIKeyLKKRBDCKXGGDOU-UHFFFAOYSA-N
XLogP3.59
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56872669
N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 91760078
(4S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 95555062
2-(1,1-dioxothiolan-3-yl)-N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]acetamide
CID 56877501
N-[(1-methylcyclopentyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131926304
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 91838331
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]pyrazin-2-amine
CID 56880237
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131897807
3-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]propanamide
CID 78791575
2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78822014
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-oxoazepan-1-yl)ethyl]butanamide
CID 55688364

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The IUPAC name of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide (CID 42245388) is N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide.
What is the SMILES notation for N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The canonical SMILES for N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide is CCc1[nH]c2c(CNC(=O)CCCN3CCCCC3=O)cc(F)cc2c1C.
What is the InChIKey of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
The InChIKey is LKKRBDCKXGGDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-3-18-14(2)17-12-16(22)11-15(21(17)24-18)13-23-19(26)7-6-10-25-9-5-4-8-20(25)27/h11-12,24H,3-10,13H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide?
N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide has a molecular weight of 373.47 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-fluoro-3-methyl-1H-indol-7-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide is sourced from PubChem (CID 42245388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).