1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile

C16H17N3O — CID 49061496

IUPAC1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)Cn2ccc3ccccc32)CC1
InChIInChI=1S/C16H17N3O/c17-11-13-5-8-18(9-6-13)16(20)12-19-10-7-14-3-1-2-4-15(14)19/h1-4,7,10,13H,5-6,8-9,12H2
InChIKeyWPEXMLOBDPNWJZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.40
Rot. Bonds2

About 1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile

1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile (PubChem CID 49061496) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
PubChem CID49061496
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)Cn2ccc3ccccc32)CC1
InChIInChI=1S/C16H17N3O/c17-11-13-5-8-18(9-6-13)16(20)12-19-10-7-14-3-1-2-4-15(14)19/h1-4,7,10,13H,5-6,8-9,12H2
InChIKeyWPEXMLOBDPNWJZ-UHFFFAOYSA-N
XLogP2.40
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone
CID 95759248
2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 124848062
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
CID 86822734
2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 52516114
1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758560
1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758561
1-(3-tert-butylsulfonylpyrrolidin-1-yl)-2-indol-1-ylethanone
CID 71805982
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416

Frequently Asked Questions

What is the IUPAC name of 1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile (CID 49061496) is 1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)Cn2ccc3ccccc32)CC1.
What is the InChIKey of 1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile?
The InChIKey is WPEXMLOBDPNWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-11-13-5-8-18(9-6-13)16(20)12-19-10-7-14-3-1-2-4-15(14)19/h1-4,7,10,13H,5-6,8-9,12H2.
What are the key properties of 1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile?
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile is sourced from PubChem (CID 49061496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).