(2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide

C24H35N7O4 — CID 7165032

IUPAC(2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)NC(C)C)[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(N)=O)C1
InChIInChI=1S/C24H35N7O4/c1-14(2)27-23(34)30-9-10-31(24(35)28-15(3)4)20(13-30)22(33)29-19(21(25)32)11-16-12-26-18-8-6-5-7-17(16)18/h5-8,12,14-15,19-20,26H,9-11,13H2,1-4H3,(H2,25,32)(H,27,34)(H,28,35)(H,29,33)/t19-,20-/m1/s1
InChIKeyWYDRQLKPTPWMKV-WOJBJXKFSA-N
MW485.59 g/mol
LogP0.90
Rot. Bonds7

About (2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide

(2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide (PubChem CID 7165032) has the molecular formula C24H35N7O4 and a molecular weight of 485.59 g/mol. Its IUPAC name is (2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide
PubChem CID7165032
Molecular FormulaC24H35N7O4
Molecular Weight485.59 g/mol
Exact Mass485.28
IUPAC Name(2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide
SMILESCC(C)NC(=O)N1CCN(C(=O)NC(C)C)[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(N)=O)C1
InChIInChI=1S/C24H35N7O4/c1-14(2)27-23(34)30-9-10-31(24(35)28-15(3)4)20(13-30)22(33)29-19(21(25)32)11-16-12-26-18-8-6-5-7-17(16)18/h5-8,12,14-15,19-20,26H,9-11,13H2,1-4H3,(H2,25,32)(H,27,34)(H,28,35)(H,29,33)/t19-,20-/m1/s1
InChIKeyWYDRQLKPTPWMKV-WOJBJXKFSA-N
XLogP0.90
TPSA152.66 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 50.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze (2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide with MolForge

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Related Compounds

3-N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 74451567
1-acetyl-N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylsulfonylpiperazine-2-carboxamide
CID 73135279
(2R)-1-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperazine-2-carboxamide
CID 25391109
2-N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N-cyclohexyl-4-[4-(dimethylamino)benzoyl]piperazine-1,2-dicarboxamide
CID 75112118
(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide
CID 25391117
(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylsulfonyl-1-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 7165021
(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(piperidin-1-ium-4-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 7165019
(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide
CID 7165018
methyl (2R)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 45361718
N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylpentanamide
CID 129132728
(2S)-2-(cyclopentylamino)-3-(1H-indol-3-yl)propanamide
CID 91153843
(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-N-[(2S)-1-(hydroxyamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide
CID 135370373

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide?
The IUPAC name of (2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide (CID 7165032) is (2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide.
What is the SMILES notation for (2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide?
The canonical SMILES for (2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide is CC(C)NC(=O)N1CCN(C(=O)NC(C)C)[C@@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(N)=O)C1.
What is the InChIKey of (2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide?
The InChIKey is WYDRQLKPTPWMKV-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H35N7O4/c1-14(2)27-23(34)30-9-10-31(24(35)28-15(3)4)20(13-30)22(33)29-19(21(25)32)11-16-12-26-18-8-6-5-7-17(16)18/h5-8,12,14-15,19-20,26H,9-11,13H2,1-4H3,(H2,25,32)(H,27,34)(H,28,35)(H,29,33)/t19-,20-/m1/s1.
What are the key properties of (2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide?
(2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide has a molecular weight of 485.59 g/mol, XLogP of 0.90, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N,4-N-di(propan-2-yl)piperazine-1,2,4-tricarboxamide is sourced from PubChem (CID 7165032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).