1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C17H18N4O — CID 95189827

IUPAC1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H18N4O/c22-17(16-10-12-4-1-2-6-14(12)19-16)21-9-3-5-13(11-21)15-7-8-18-20-15/h1-2,4,6-8,10,13,19H,3,5,9,11H2,(H,18,20)/t13-/m0/s1
InChIKeyLXHLZJVOAASFDH-ZDUSSCGKSA-N
MW294.36 g/mol
LogP2.91
Rot. Bonds2

About 1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95189827) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95189827
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C17H18N4O/c22-17(16-10-12-4-1-2-6-14(12)19-16)21-9-3-5-13(11-21)15-7-8-18-20-15/h1-2,4,6-8,10,13,19H,3,5,9,11H2,(H,18,20)/t13-/m0/s1
InChIKeyLXHLZJVOAASFDH-ZDUSSCGKSA-N
XLogP2.91
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 26341767
1H-indol-2-yl-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95213633
1H-indol-2-yl-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95213634
(4-bromo-1H-pyrrol-2-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 54878215
1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70713768
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 96580791
1H-indol-2-yl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 93062533
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-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260670
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(3-aminopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 62069186
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95189827) is 1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of 1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is LXHLZJVOAASFDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O/c22-17(16-10-12-4-1-2-6-14(12)19-16)21-9-3-5-13(11-21)15-7-8-18-20-15/h1-2,4,6-8,10,13,19H,3,5,9,11H2,(H,18,20)/t13-/m0/s1.
What are the key properties of 1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 294.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95189827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).