2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone

C26H30N4O2 — CID 30741257

IUPAC2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone
SMILESO=C(CN1CCN(CC(=O)N2CCCC2)CC1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H30N4O2/c31-23(18-28-14-16-29(17-15-28)19-24(32)30-12-6-7-13-30)25-21-10-4-5-11-22(21)27-26(25)20-8-2-1-3-9-20/h1-5,8-11,27H,6-7,12-19H2
InChIKeyDUGPOQPPNLFAKQ-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.26
Rot. Bonds6

About 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone

2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone (PubChem CID 30741257) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone
PubChem CID30741257
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone
SMILESO=C(CN1CCN(CC(=O)N2CCCC2)CC1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H30N4O2/c31-23(18-28-14-16-29(17-15-28)19-24(32)30-12-6-7-13-30)25-21-10-4-5-11-22(21)27-26(25)20-8-2-1-3-9-20/h1-5,8-11,27H,6-7,12-19H2
InChIKeyDUGPOQPPNLFAKQ-UHFFFAOYSA-N
XLogP3.26
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenyl-1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 9033533
1-(2-phenyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8548729
2-[4-[2-[2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 59920987
1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 17441584
2-[4-(3-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55913568
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetic acid
CID 42651593
N-[1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]piperidin-3-yl]methanesulfonamide
CID 55853401
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4884583
1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 7277959
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one
CID 7529241
2-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 39950031

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone (CID 30741257) is 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone is O=C(CN1CCN(CC(=O)N2CCCC2)CC1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone?
The InChIKey is DUGPOQPPNLFAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c31-23(18-28-14-16-29(17-15-28)19-24(32)30-12-6-7-13-30)25-21-10-4-5-11-22(21)27-26(25)20-8-2-1-3-9-20/h1-5,8-11,27H,6-7,12-19H2.
What are the key properties of 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone?
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone has a molecular weight of 430.55 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 30741257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).