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

C22H25ClN4O2 — CID 119951046

IUPAC3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCl.NC(CC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)c1ccccc1
InChIInChI=1S/C22H24N4O2.ClH/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;1H
InChIKeyFECNOFLMFXJVNY-UHFFFAOYSA-N
MW412.92 g/mol
LogP2.96
Rot. Bonds4

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

3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride (PubChem CID 119951046) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
PubChem CID119951046
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCl.NC(CC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)c1ccccc1
InChIInChI=1S/C22H24N4O2.ClH/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;1H
InChIKeyFECNOFLMFXJVNY-UHFFFAOYSA-N
XLogP2.96
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 52.96
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
CID 119951047
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119767428
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 29140624
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119767401
(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
3-amino-1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119949482

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride (CID 119951046) is 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride is Cl.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;hydrochloride?
The InChIKey is FECNOFLMFXJVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2.ClH/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;1H.
What are the key properties of 3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride?
3-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 2.96, 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;hydrochloride is sourced from PubChem (CID 119951046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).