(3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one

C27H34N4O2 — CID 99782277

IUPAC(3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one
SMILESC[C@H](C(=O)N1CCc2ccccc21)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C27H34N4O2/c1-21(26(32)31-15-13-23-10-5-6-11-24(23)31)28-16-18-29(19-17-28)25-12-7-14-30(27(25)33)20-22-8-3-2-4-9-22/h2-6,8-11,21,25H,7,12-20H2,1H3/t21-,25-/m1/s1
InChIKeyUIQYFFPKDCLTGM-PXDATVDWSA-N
MW446.60 g/mol
LogP2.77
Rot. Bonds5

About (3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one

(3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one (PubChem CID 99782277) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is (3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one
PubChem CID99782277
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name(3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one
SMILESC[C@H](C(=O)N1CCc2ccccc21)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1
InChIInChI=1S/C27H34N4O2/c1-21(26(32)31-15-13-23-10-5-6-11-24(23)31)28-16-18-29(19-17-28)25-12-7-14-30(27(25)33)20-22-8-3-2-4-9-22/h2-6,8-11,21,25H,7,12-20H2,1H3/t21-,25-/m1/s1
InChIKeyUIQYFFPKDCLTGM-PXDATVDWSA-N
XLogP2.77
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-1-benzyl-3-[4-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one
CID 99782276
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906465
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9207032
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 18131575
ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 78786194
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9357311

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one?
The IUPAC name of (3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one (CID 99782277) is (3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one?
The canonical SMILES for (3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one is C[C@H](C(=O)N1CCc2ccccc21)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1.
What is the InChIKey of (3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one?
The InChIKey is UIQYFFPKDCLTGM-PXDATVDWSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-21(26(32)31-15-13-23-10-5-6-11-24(23)31)28-16-18-29(19-17-28)25-12-7-14-30(27(25)33)20-22-8-3-2-4-9-22/h2-6,8-11,21,25H,7,12-20H2,1H3/t21-,25-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one?
(3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one has a molecular weight of 446.60 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-[4-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]piperidin-2-one is sourced from PubChem (CID 99782277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).