2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

C22H30N4O2 — CID 87040579

IUPAC2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)Cn2ccc3ccccc32)CC1
InChIInChI=1S/C22H30N4O2/c1-18-6-4-5-10-26(18)22(28)16-23-12-14-24(15-13-23)21(27)17-25-11-9-19-7-2-3-8-20(19)25/h2-3,7-9,11,18H,4-6,10,12-17H2,1H3
InChIKeyODSXTGBHILJDMA-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.19
Rot. Bonds4

About 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 87040579) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID87040579
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(C(=O)Cn2ccc3ccccc32)CC1
InChIInChI=1S/C22H30N4O2/c1-18-6-4-5-10-26(18)22(28)16-23-12-14-24(15-13-23)21(27)17-25-11-9-19-7-2-3-8-20(19)25/h2-3,7-9,11,18H,4-6,10,12-17H2,1H3
InChIKeyODSXTGBHILJDMA-UHFFFAOYSA-N
XLogP2.19
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]acetamide
CID 86822734
1-(2,6-dimethylpiperidin-1-yl)-2-indol-1-ylethanone
CID 110702430
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-indol-1-yl-1-[4-[(3S)-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 52516114
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone
CID 95759248
4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78871735
2-indol-1-yl-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 97143198
2-[(1S,2R)-2-hydroxycyclohexyl]-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 124881787
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 37158782
3-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 36548987

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 87040579) is 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CN1CCN(C(=O)Cn2ccc3ccccc32)CC1.
What is the InChIKey of 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is ODSXTGBHILJDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-18-6-4-5-10-26(18)22(28)16-23-12-14-24(15-13-23)21(27)17-25-11-9-19-7-2-3-8-20(19)25/h2-3,7-9,11,18H,4-6,10,12-17H2,1H3.
What are the key properties of 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 382.51 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-indol-1-ylacetyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 87040579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).