4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide

C16H21N3O — CID 79688237

IUPAC4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CCNC1
InChIInChI=1S/C16H21N3O/c20-16(19-13-8-9-17-11-13)7-3-4-12-10-18-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,17-18H,3-4,7-9,11H2,(H,19,20)/t13-/m1/s1
InChIKeyYFDVGTUDYBKXHK-CYBMUJFWSA-N
MW271.36 g/mol
LogP1.97
Rot. Bonds5

About 4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide

4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide (PubChem CID 79688237) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
PubChem CID79688237
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CCNC1
InChIInChI=1S/C16H21N3O/c20-16(19-13-8-9-17-11-13)7-3-4-12-10-18-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,17-18H,3-4,7-9,11H2,(H,19,20)/t13-/m1/s1
InChIKeyYFDVGTUDYBKXHK-CYBMUJFWSA-N
XLogP1.97
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-N-piperidin-3-ylbutanamide
CID 63321297
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
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
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 17487739
3-(1H-indol-3-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995348
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide
CID 95712428
4-(1H-indol-3-yl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-7-yl)butanamide
CID 91910799
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-(2-cyclopentyl-2-hydroxyethyl)-4-(1H-indol-3-yl)butanamide
CID 111425971
3-(1H-indol-3-yl)-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]propanamide
CID 91765115

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide (CID 79688237) is 4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide is O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CCNC1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide?
The InChIKey is YFDVGTUDYBKXHK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16(19-13-8-9-17-11-13)7-3-4-12-10-18-15-6-2-1-5-14(12)15/h1-2,5-6,10,13,17-18H,3-4,7-9,11H2,(H,19,20)/t13-/m1/s1.
What are the key properties of 4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide?
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide has a molecular weight of 271.36 g/mol, XLogP of 1.97, 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-[(3R)-pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 79688237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).