1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride

C14H18ClN3O — CID 134120748

IUPAC1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.Cl
InChIInChI=1S/C14H17N3O.ClH/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13;/h2-5,10,15H,6-9H2,1H3;1H
InChIKeyOMCXMIXAVQKJET-UHFFFAOYSA-N
MW279.77 g/mol
LogP1.98
Rot. Bonds1

About 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride

1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 134120748) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID134120748
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.Cl
InChIInChI=1S/C14H17N3O.ClH/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13;/h2-5,10,15H,6-9H2,1H3;1H
InChIKeyOMCXMIXAVQKJET-UHFFFAOYSA-N
XLogP1.98
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
[(4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)azepan-1-yl]-(1H-indol-2-yl)methanone
CID 110128506
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one;hydrochloride
CID 119767428
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
furan-3-yl-[4-(1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 33018299
(4-benzhydrylpiperazin-1-yl)-(1H-indol-2-yl)methanone
CID 4231166
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119767401

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride (CID 134120748) is 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride is CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.Cl.
What is the InChIKey of 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is OMCXMIXAVQKJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.ClH/c1-16-6-8-17(9-7-16)14(18)13-10-11-4-2-3-5-12(11)15-13;/h2-5,10,15H,6-9H2,1H3;1H.
What are the key properties of 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride?
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 134120748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).