(3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide

C18H21N3O — CID 99798995

IUPAC(3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide
SMILESC[C@H](CC(=O)NC1(C#N)CCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H21N3O/c1-13(15-11-20-16-7-3-2-6-14(15)16)10-17(22)21-18(12-19)8-4-5-9-18/h2-3,6-7,11,13,20H,4-5,8-10H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyLRAFHMZSWQYPEI-CYBMUJFWSA-N
MW295.39 g/mol
LogP3.61
Rot. Bonds4

About (3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide

(3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide (PubChem CID 99798995) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound Name(3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide
PubChem CID99798995
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide
SMILESC[C@H](CC(=O)NC1(C#N)CCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H21N3O/c1-13(15-11-20-16-7-3-2-6-14(15)16)10-17(22)21-18(12-19)8-4-5-9-18/h2-3,6-7,11,13,20H,4-5,8-10H2,1H3,(H,21,22)/t13-/m1/s1
InChIKeyLRAFHMZSWQYPEI-CYBMUJFWSA-N
XLogP3.61
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 8607284
N-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87017576
N-(4,4-dimethyl-2-oxopyrrolidin-3-yl)-3-(1H-indol-3-yl)butanamide
CID 166255027
(3R)-N-(4-cyano-1-methylpiperidin-4-yl)-3-(2-methylphenyl)butanamide
CID 95628883
2-[3-(1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.03,7]nonane-5-carbonitrile
CID 145258277
N-(1-cyanocycloheptyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106356
(3S)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 102311824
(3R)-1-(4-bromophenyl)-3-(1H-indol-3-yl)butan-1-one
CID 16726471
2-(benzhydrylamino)-N-(1-cyanocyclopentyl)acetamide
CID 7516068
N-(1-cyanocyclohexyl)-3-oxo-3-phenylpropanamide
CID 110473191
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
2-[[cyano(1H-indol-3-yl)methyl]amino]acetic acid
CID 84816490

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide?
The IUPAC name of (3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide (CID 99798995) is (3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide.
What is the SMILES notation for (3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide?
The canonical SMILES for (3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide is C[C@H](CC(=O)NC1(C#N)CCCC1)c1c[nH]c2ccccc12.
What is the InChIKey of (3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide?
The InChIKey is LRAFHMZSWQYPEI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(15-11-20-16-7-3-2-6-14(15)16)10-17(22)21-18(12-19)8-4-5-9-18/h2-3,6-7,11,13,20H,4-5,8-10H2,1H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide?
(3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide has a molecular weight of 295.39 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-cyanocyclopentyl)-3-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 99798995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).