1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride

C13H16ClN3O — CID 47003021

IUPAC1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1cc2ccccc2[nH]1)N1CCNCC1
InChIInChI=1S/C13H15N3O.ClH/c17-13(16-7-5-14-6-8-16)12-9-10-3-1-2-4-11(10)15-12;/h1-4,9,14-15H,5-8H2;1H
InChIKeyRVRINISKQQDUMY-UHFFFAOYSA-N
MW265.74 g/mol
LogP1.64
Rot. Bonds1

About 1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride

1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride (PubChem CID 47003021) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
PubChem CID47003021
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(c1cc2ccccc2[nH]1)N1CCNCC1
InChIInChI=1S/C13H15N3O.ClH/c17-13(16-7-5-14-6-8-16)12-9-10-3-1-2-4-11(10)15-12;/h1-4,9,14-15H,5-8H2;1H
InChIKeyRVRINISKQQDUMY-UHFFFAOYSA-N
XLogP1.64
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 120630039
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 29140624
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 33018299
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119314153

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride?
The IUPAC name of 1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride (CID 47003021) is 1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for 1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride is Cl.O=C(c1cc2ccccc2[nH]1)N1CCNCC1.
What is the InChIKey of 1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride?
The InChIKey is RVRINISKQQDUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.ClH/c17-13(16-7-5-14-6-8-16)12-9-10-3-1-2-4-11(10)15-12;/h1-4,9,14-15H,5-8H2;1H.
What are the key properties of 1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride?
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 47003021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).