4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile

C16H17N3O2 — CID 78945471

IUPAC4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CCc2c[nH]c3ccccc23)CCO1
InChIInChI=1S/C16H17N3O2/c17-9-13-11-19(7-8-21-13)16(20)6-5-12-10-18-15-4-2-1-3-14(12)15/h1-4,10,13,18H,5-8,11H2
InChIKeyLBTWGUBCNVYBTO-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.85
Rot. Bonds3

About 4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile

4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile (PubChem CID 78945471) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile
PubChem CID78945471
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CCc2c[nH]c3ccccc23)CCO1
InChIInChI=1S/C16H17N3O2/c17-9-13-11-19(7-8-21-13)16(20)6-5-12-10-18-15-4-2-1-3-14(12)15/h1-4,10,13,18H,5-8,11H2
InChIKeyLBTWGUBCNVYBTO-UHFFFAOYSA-N
XLogP1.85
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124952727
4-(1H-indol-3-yl)-1-[(2S)-2-phenylmorpholin-4-yl]butan-1-one
CID 35257736
3-(1H-indol-3-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 155899693
3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 110102712
1-[(3S,4S)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 56866050
1-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 110108314
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 124993546
1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 127250571
4-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]morpholine-2-carbonitrile
CID 154859618
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 35017812

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile (CID 78945471) is 4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile is N#CC1CN(C(=O)CCc2c[nH]c3ccccc23)CCO1.
What is the InChIKey of 4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile?
The InChIKey is LBTWGUBCNVYBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-9-13-11-19(7-8-21-13)16(20)6-5-12-10-18-15-4-2-1-3-14(12)15/h1-4,10,13,18H,5-8,11H2.
What are the key properties of 4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile?
4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-indol-3-yl)propanoyl]morpholine-2-carbonitrile is sourced from PubChem (CID 78945471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).