(2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide

C18H24N4O2 — CID 124969435

IUPAC(2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@@H]1C(N)=O
InChIInChI=1S/C18H24N4O2/c1-12(2)22-8-7-21(11-16(22)18(19)24)17(23)9-13-10-20-15-6-4-3-5-14(13)15/h3-6,10,12,16,20H,7-9,11H2,1-2H3,(H2,19,24)/t16-/m1/s1
InChIKeyJIZBUFABMINMCH-MRXNPFEDSA-N
MW328.42 g/mol
LogP1.12
Rot. Bonds4

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

(2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 124969435) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
PubChem CID124969435
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@@H]1C(N)=O
InChIInChI=1S/C18H24N4O2/c1-12(2)22-8-7-21(11-16(22)18(19)24)17(23)9-13-10-20-15-6-4-3-5-14(13)15/h3-6,10,12,16,20H,7-9,11H2,1-2H3,(H2,19,24)/t16-/m1/s1
InChIKeyJIZBUFABMINMCH-MRXNPFEDSA-N
XLogP1.12
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide with MolForge

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Related Compounds

(2R)-1-benzyl-4-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
CID 124948614
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
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
(3S)-4-(cyclopropylmethyl)-1-[2-(1H-indol-3-yl)acetyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 95564092
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 78793992
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511461
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of (2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide (CID 124969435) is (2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide is CC(C)N1CCN(C(=O)Cc2c[nH]c3ccccc23)C[C@@H]1C(N)=O.
What is the InChIKey of (2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is JIZBUFABMINMCH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(2)22-8-7-21(11-16(22)18(19)24)17(23)9-13-10-20-15-6-4-3-5-14(13)15/h3-6,10,12,16,20H,7-9,11H2,1-2H3,(H2,19,24)/t16-/m1/s1.
What are the key properties of (2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide?
(2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(1H-indol-3-yl)acetyl]-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 124969435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).