[4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone

C18H17N5O2 — CID 155950361

IUPAC[4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H17N5O2/c24-17(15-5-6-19-12-20-15)22-7-9-23(10-8-22)18(25)16-11-13-3-1-2-4-14(13)21-16/h1-6,11-12,21H,7-10H2
InChIKeyJHZDEQMEQYICIZ-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.56
Rot. Bonds2

About [4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone

[4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 155950361) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is [4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID155950361
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name[4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1
InChIInChI=1S/C18H17N5O2/c24-17(15-5-6-19-12-20-15)22-7-9-23(10-8-22)18(25)16-11-13-3-1-2-4-14(13)21-16/h1-6,11-12,21H,7-10H2
InChIKeyJHZDEQMEQYICIZ-UHFFFAOYSA-N
XLogP1.56
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-indol-2-yl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226484
1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 26341767
1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl-[4-(1,6-naphthyridin-4-yl)piperazin-1-yl]methanone
CID 155951108
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl(1H-indol-2-yl)methanone
CID 167813037
1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060454
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone (CID 155950361) is [4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is JHZDEQMEQYICIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17(15-5-6-19-12-20-15)22-7-9-23(10-8-22)18(25)16-11-13-3-1-2-4-14(13)21-16/h1-6,11-12,21H,7-10H2.
What are the key properties of [4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone?
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 335.37 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 155950361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).