2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

C21H28N4O2 — CID 113003641

IUPAC2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCN1CCN(C(=O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C21H28N4O2/c1-23-10-12-25(13-11-23)21(27)16-6-8-24(9-7-16)20(26)14-17-15-22-19-5-3-2-4-18(17)19/h2-5,15-16,22H,6-14H2,1H3
InChIKeyHYFOLZBNQHOIDO-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.72
Rot. Bonds3

About 2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (PubChem CID 113003641) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
PubChem CID113003641
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
SMILESCN1CCN(C(=O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CC1
InChIInChI=1S/C21H28N4O2/c1-23-10-12-25(13-11-23)21(27)16-6-8-24(9-7-16)20(26)14-17-15-22-19-5-3-2-4-18(17)19/h2-5,15-16,22H,6-14H2,1H3
InChIKeyHYFOLZBNQHOIDO-UHFFFAOYSA-N
XLogP1.72
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113003701
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113005765
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
N-[2-(dimethylamino)ethyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113003443
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone (CID 113003641) is 2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is CN1CCN(C(=O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is HYFOLZBNQHOIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-23-10-12-25(13-11-23)21(27)16-6-8-24(9-7-16)20(26)14-17-15-22-19-5-3-2-4-18(17)19/h2-5,15-16,22H,6-14H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 368.48 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 113003641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).