(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid

C16H19N3O3 — CID 124691123

IUPAC(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H19N3O3/c1-11(16(21)22)18-6-8-19(9-7-18)15(20)14-10-12-4-2-3-5-13(12)17-14/h2-5,10-11,17H,6-9H2,1H3,(H,21,22)/t11-/m1/s1
InChIKeyJRLQMLPBUBNGCH-LLVKDONJSA-N
MW301.35 g/mol
LogP1.40
Rot. Bonds3

About (2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid

(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 124691123) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID124691123
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
SMILESC[C@H](C(=O)O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C16H19N3O3/c1-11(16(21)22)18-6-8-19(9-7-18)15(20)14-10-12-4-2-3-5-13(12)17-14/h2-5,10-11,17H,6-9H2,1H3,(H,21,22)/t11-/m1/s1
InChIKeyJRLQMLPBUBNGCH-LLVKDONJSA-N
XLogP1.40
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119767428
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
2-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317771
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
N-tert-butyl-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 155255167
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119767401
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119767406

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid (CID 124691123) is (2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid is C[C@H](C(=O)O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of (2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is JRLQMLPBUBNGCH-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(16(21)22)18-6-8-19(9-7-18)15(20)14-10-12-4-2-3-5-13(12)17-14/h2-5,10-11,17H,6-9H2,1H3,(H,21,22)/t11-/m1/s1.
What are the key properties of (2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid?
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 301.35 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 124691123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).