4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide

C21H31N3O — CID 17487739

IUPAC4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
SMILESCC1(C)CC(NC(=O)CCCc2c[nH]c3ccccc23)CC(C)(C)N1
InChIInChI=1S/C21H31N3O/c1-20(2)12-16(13-21(3,4)24-20)23-19(25)11-7-8-15-14-22-18-10-6-5-9-17(15)18/h5-6,9-10,14,16,22,24H,7-8,11-13H2,1-4H3,(H,23,25)
InChIKeyAGASXTWEVRKGPN-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.92
Rot. Bonds5

About 4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide

4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide (PubChem CID 17487739) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
PubChem CID17487739
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
SMILESCC1(C)CC(NC(=O)CCCc2c[nH]c3ccccc23)CC(C)(C)N1
InChIInChI=1S/C21H31N3O/c1-20(2)12-16(13-21(3,4)24-20)23-19(25)11-7-8-15-14-22-18-10-6-5-9-17(15)18/h5-6,9-10,14,16,22,24H,7-8,11-13H2,1-4H3,(H,23,25)
InChIKeyAGASXTWEVRKGPN-UHFFFAOYSA-N
XLogP3.92
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120679084
4-(1H-indol-3-yl)-N-piperidin-3-ylbutanamide
CID 63321297
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide
CID 95712428
4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide
CID 97335463
4-(1H-indol-3-yl)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)butanamide
CID 75444662
4-(1H-indol-3-yl)-N-[(1R,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide
CID 97335465
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide (CID 17487739) is 4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide is CC1(C)CC(NC(=O)CCCc2c[nH]c3ccccc23)CC(C)(C)N1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
The InChIKey is AGASXTWEVRKGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-20(2)12-16(13-21(3,4)24-20)23-19(25)11-7-8-15-14-22-18-10-6-5-9-17(15)18/h5-6,9-10,14,16,22,24H,7-8,11-13H2,1-4H3,(H,23,25).
What are the key properties of 4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide?
4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide has a molecular weight of 341.50 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide is sourced from PubChem (CID 17487739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).