3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one

C22H24N4O2 — CID 119951047

IUPAC3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESNC(CC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c23-18(16-6-2-1-3-7-16)15-21(27)25-10-12-26(13-11-25)22(28)20-14-17-8-4-5-9-19(17)24-20/h1-9,14,18,24H,10-13,15,23H2
InChIKeyRHLPJIYPMJTFLS-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.54
Rot. Bonds4

About 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one

3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 119951047) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID119951047
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESNC(CC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c23-18(16-6-2-1-3-7-16)15-21(27)25-10-12-26(13-11-25)22(28)20-14-17-8-4-5-9-19(17)24-20/h1-9,14,18,24H,10-13,15,23H2
InChIKeyRHLPJIYPMJTFLS-UHFFFAOYSA-N
XLogP2.54
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951046
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 29140624
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119767428
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119767401
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
1H-indol-2-yl-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 26313190
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
CID 61041324
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 119951047) is 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one is NC(CC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)c1ccccc1.
What is the InChIKey of 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is RHLPJIYPMJTFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-18(16-6-2-1-3-7-16)15-21(27)25-10-12-26(13-11-25)22(28)20-14-17-8-4-5-9-19(17)24-20/h1-9,14,18,24H,10-13,15,23H2.
What are the key properties of 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 376.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119951047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).