(2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide

C22H24N4O2 — CID 124948614

IUPAC(2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCN1Cc1ccccc1
InChIInChI=1S/C22H24N4O2/c23-22(28)20-15-26(11-10-25(20)14-16-6-2-1-3-7-16)21(27)12-17-13-24-19-9-5-4-8-18(17)19/h1-9,13,20,24H,10-12,14-15H2,(H2,23,28)/t20-/m1/s1
InChIKeyCODYUWPVCLCDDZ-HXUWFJFHSA-N
MW376.46 g/mol
LogP1.91
Rot. Bonds5

About (2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide

(2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide (PubChem CID 124948614) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
PubChem CID124948614
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
SMILESNC(=O)[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCN1Cc1ccccc1
InChIInChI=1S/C22H24N4O2/c23-22(28)20-15-26(11-10-25(20)14-16-6-2-1-3-7-16)21(27)12-17-13-24-19-9-5-4-8-18(17)19/h1-9,13,20,24H,10-12,14-15H2,(H2,23,28)/t20-/m1/s1
InChIKeyCODYUWPVCLCDDZ-HXUWFJFHSA-N
XLogP1.91
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124969435
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
1-benzyl-4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperazine-2-carboxamide
CID 110086608
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511461
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-indol-3-yl)ethanone
CID 71099604
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
5-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 46455552

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide (CID 124948614) is (2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide is NC(=O)[C@H]1CN(C(=O)Cc2c[nH]c3ccccc23)CCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide?
The InChIKey is CODYUWPVCLCDDZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-22(28)20-15-26(11-10-25(20)14-16-6-2-1-3-7-16)21(27)12-17-13-24-19-9-5-4-8-18(17)19/h1-9,13,20,24H,10-12,14-15H2,(H2,23,28)/t20-/m1/s1.
What are the key properties of (2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide?
(2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide is sourced from PubChem (CID 124948614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).