[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C22H30N4O3 — CID 68680973

IUPAC[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCC(O)CC4)cc3c2)CC1
InChIInChI=1S/C22H30N4O3/c1-15(2)24-9-11-26(12-10-24)21(28)16-3-4-19-17(13-16)14-20(23-19)22(29)25-7-5-18(27)6-8-25/h3-4,13-15,18,23,27H,5-12H2,1-2H3
InChIKeyBVRSVKNQMZNKFA-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.93
Rot. Bonds3

About [2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 68680973) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is [2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID68680973
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCC(O)CC4)cc3c2)CC1
InChIInChI=1S/C22H30N4O3/c1-15(2)24-9-11-26(12-10-24)21(28)16-3-4-19-17(13-16)14-20(23-19)22(29)25-7-5-18(27)6-8-25/h3-4,13-15,18,23,27H,5-12H2,1-2H3
InChIKeyBVRSVKNQMZNKFA-UHFFFAOYSA-N
XLogP1.93
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68683427
[2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68681971
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methanone
CID 69283170
5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid
CID 68680623
(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone
CID 11538675
N-[(3-fluorooxetan-3-yl)methyl]-5-(4-propan-2-ylpiperazine-1-carbonyl)-1H-indole-2-carboxamide
CID 86615807
1-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carbonyl]piperidine-4-carboxamide
CID 69283945
5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride
CID 68683143
[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68680808
(6-hydroxy-1H-indol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 70013039
(2R)-2-[4-(1H-indole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 124691123

Frequently Asked Questions

What is the IUPAC name of [2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 68680973) is [2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCC(O)CC4)cc3c2)CC1.
What is the InChIKey of [2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is BVRSVKNQMZNKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15(2)24-9-11-26(12-10-24)21(28)16-3-4-19-17(13-16)14-20(23-19)22(29)25-7-5-18(27)6-8-25/h3-4,13-15,18,23,27H,5-12H2,1-2H3.
What are the key properties of [2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 398.51 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 68680973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).