(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide

C19H25N5O4 — CID 25391117

IUPAC(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide
SMILESCOCC(=O)N1CCNC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C19H25N5O4/c1-28-11-17(25)24-7-6-21-10-16(24)19(27)23-15(18(20)26)8-12-9-22-14-5-3-2-4-13(12)14/h2-5,9,15-16,21-22H,6-8,10-11H2,1H3,(H2,20,26)(H,23,27)/t15-,16-/m1/s1
InChIKeyCKHLFHSRRUFIBE-HZPDHXFCSA-N
MW387.44 g/mol
LogP-0.87
Rot. Bonds7

About (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide

(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide (PubChem CID 25391117) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide
PubChem CID25391117
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide
SMILESCOCC(=O)N1CCNC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O
InChIInChI=1S/C19H25N5O4/c1-28-11-17(25)24-7-6-21-10-16(24)19(27)23-15(18(20)26)8-12-9-22-14-5-3-2-4-13(12)14/h2-5,9,15-16,21-22H,6-8,10-11H2,1H3,(H2,20,26)(H,23,27)/t15-,16-/m1/s1
InChIKeyCKHLFHSRRUFIBE-HZPDHXFCSA-N
XLogP-0.87
TPSA129.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(2R)-1-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]piperazine-2-carboxamide
CID 25391109
1-[2-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]-1-(2-methoxyacetyl)piperidin-4-yl]triazole-4,5-dicarboxamide
CID 3392261
(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
1-acetyl-N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methylsulfonylpiperazine-2-carboxamide
CID 73135279
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-[4-(1H-indol-3-yl)butanoyl]piperazine-2-carboxamide
CID 155982994
methyl 2-[[1-(2-methoxyacetyl)piperazine-2-carbonyl]amino]-3-(4-methoxyphenyl)propanoate
CID 73135225
N-(4-fluorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperazine-2-carboxamide
CID 56887539
tert-butyl (2S)-2-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 101439832
(2S,4S)-1-acetyl-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[(4-methoxyphenyl)carbamoylamino]pyrrolidine-2-carboxamide
CID 11882034
methyl (2R)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-(piperidine-4-carbonyl)piperazine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 45361718
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide (CID 25391117) is (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide is COCC(=O)N1CCNC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O.
What is the InChIKey of (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide?
The InChIKey is CKHLFHSRRUFIBE-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-28-11-17(25)24-7-6-21-10-16(24)19(27)23-15(18(20)26)8-12-9-22-14-5-3-2-4-13(12)14/h2-5,9,15-16,21-22H,6-8,10-11H2,1H3,(H2,20,26)(H,23,27)/t15-,16-/m1/s1.
What are the key properties of (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide?
(2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of -0.87, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methoxyacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 25391117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).