[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone

C20H24N4O3 — CID 92565758

IUPAC[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)cc12
InChIInChI=1S/C20H24N4O3/c1-14-21-8-11-24(14)13-20(26)6-9-23(10-7-20)19(25)17-12-15-16(22-17)4-3-5-18(15)27-2/h3-5,8,11-12,22,26H,6-7,9-10,13H2,1-2H3
InChIKeyLESLFMZMSOIOHD-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.35
Rot. Bonds4

About [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone

[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone (PubChem CID 92565758) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
PubChem CID92565758
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
SMILESCOc1cccc2[nH]c(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)cc12
InChIInChI=1S/C20H24N4O3/c1-14-21-8-11-24(14)13-20(26)6-9-23(10-7-20)19(25)17-12-15-16(22-17)4-3-5-18(15)27-2/h3-5,8,11-12,22,26H,6-7,9-10,13H2,1-2H3
InChIKeyLESLFMZMSOIOHD-UHFFFAOYSA-N
XLogP2.35
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(2-methoxyphenoxy)butan-1-one
CID 110221634
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 46955376
(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
(7-fluoro-4-methoxy-1H-indol-2-yl)-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone
CID 139007473
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
(4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576350
(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164694211
7-(4-methoxy-1H-indole-2-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155909473
(4-methoxy-1H-indol-2-yl)-(7-methyl-7-propan-2-yl-6-azaspiro[2.5]octan-6-yl)methanone
CID 166840060
(7-methoxy-1-benzofuran-2-yl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533621
1-acetyl-4-(4-methoxy-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 110086604

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone (CID 92565758) is [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone is COc1cccc2[nH]c(C(=O)N3CCC(O)(Cn4ccnc4C)CC3)cc12.
What is the InChIKey of [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone?
The InChIKey is LESLFMZMSOIOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-21-8-11-24(14)13-20(26)6-9-23(10-7-20)19(25)17-12-15-16(22-17)4-3-5-18(15)27-2/h3-5,8,11-12,22,26H,6-7,9-10,13H2,1-2H3.
What are the key properties of [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone?
[4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone has a molecular weight of 368.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 92565758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).