1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

C18H18N4O — CID 26341767

IUPAC1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2ccncn2)C1
InChIInChI=1S/C18H18N4O/c23-18(17-10-13-4-1-2-6-16(13)21-17)22-9-3-5-14(11-22)15-7-8-19-12-20-15/h1-2,4,6-8,10,12,14,21H,3,5,9,11H2/t14-/m0/s1
InChIKeyQVERNDRNZHBJJW-AWEZNQCLSA-N
MW306.37 g/mol
LogP2.98
Rot. Bonds2

About 1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (PubChem CID 26341767) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
PubChem CID26341767
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2ccncn2)C1
InChIInChI=1S/C18H18N4O/c23-18(17-10-13-4-1-2-6-16(13)21-17)22-9-3-5-14(11-22)15-7-8-19-12-20-15/h1-2,4,6-8,10,12,14,21H,3,5,9,11H2/t14-/m0/s1
InChIKeyQVERNDRNZHBJJW-AWEZNQCLSA-N
XLogP2.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95189827
1-benzothiophen-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124957234
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-pyrimidin-4-ylmethanone
CID 155950361
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 96580791
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126440128
1H-indol-2-yl-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100644461
1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70713768
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 99994862
1H-indol-2-yl-[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 51933582
1H-indol-2-yl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 93062533
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone
CID 119100757
1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260670

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (CID 26341767) is 1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2ccncn2)C1.
What is the InChIKey of 1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The InChIKey is QVERNDRNZHBJJW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(17-10-13-4-1-2-6-16(13)21-17)22-9-3-5-14(11-22)15-7-8-19-12-20-15/h1-2,4,6-8,10,12,14,21H,3,5,9,11H2/t14-/m0/s1.
What are the key properties of 1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone has a molecular weight of 306.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 26341767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).