1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one

C18H22N4O2 — CID 56821754

IUPAC1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C(Cn1ccc2ccccc21)N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C18H22N4O2/c23-17(13-20-10-7-14-4-1-2-6-16(14)20)21-9-3-5-15(12-21)22-11-8-19-18(22)24/h1-2,4,6-7,10,15H,3,5,8-9,11-13H2,(H,19,24)
InChIKeyAXOJOKCGMZIKAH-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.66
Rot. Bonds3

About 1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one

1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one (PubChem CID 56821754) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one
PubChem CID56821754
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one
SMILESO=C(Cn1ccc2ccccc21)N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C18H22N4O2/c23-17(13-20-10-7-14-4-1-2-6-16(14)20)21-9-3-5-15(12-21)22-11-8-19-18(22)24/h1-2,4,6-7,10,15H,3,5,8-9,11-13H2,(H,19,24)
InChIKeyAXOJOKCGMZIKAH-UHFFFAOYSA-N
XLogP1.66
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-indol-1-ylethanone
CID 95341515
2-indol-1-yl-1-(3-methylpiperidin-1-yl)ethanone
CID 110702436
2-indol-1-yl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95349017
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-[5-[(3S)-1-(2-indol-1-ylacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126429492
5-[1-(2-indol-1-ylacetyl)piperidin-3-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540828
2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257179
2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971243
2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
1-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-3-yl]imidazolidin-2-one
CID 56821742
(3R)-N-benzyl-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 95047911
2-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 52516114

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one (CID 56821754) is 1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one is O=C(Cn1ccc2ccccc21)N1CCCC(N2CCNC2=O)C1.
What is the InChIKey of 1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one?
The InChIKey is AXOJOKCGMZIKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(13-20-10-7-14-4-1-2-6-16(14)20)21-9-3-5-15(12-21)22-11-8-19-18(22)24/h1-2,4,6-7,10,15H,3,5,8-9,11-13H2,(H,19,24).
What are the key properties of 1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one?
1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 56821754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).