[(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate

C25H27N5O4 — CID 175351492

IUPAC[(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
SMILESCCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](OC(N)=O)C4)cc(O)c3n2C)cc2ccccc21
InChIInChI=1S/C25H27N5O4/c1-3-30-19-9-5-4-7-15(19)12-20(30)23-27-18-11-16(13-21(31)22(18)28(23)2)24(32)29-10-6-8-17(14-29)34-25(26)33/h4-5,7,9,11-13,17,31H,3,6,8,10,14H2,1-2H3,(H2,26,33)/t17-/m1/s1
InChIKeyAFYFEFRDYYTPQH-QGZVFWFLSA-N
MW461.52 g/mol
LogP3.62
Rot. Bonds4

About [(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate

[(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate (PubChem CID 175351492) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is [(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
PubChem CID175351492
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name[(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
SMILESCCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](OC(N)=O)C4)cc(O)c3n2C)cc2ccccc21
InChIInChI=1S/C25H27N5O4/c1-3-30-19-9-5-4-7-15(19)12-20(30)23-27-18-11-16(13-21(31)22(18)28(23)2)24(32)29-10-6-8-17(14-29)34-25(26)33/h4-5,7,9,11-13,17,31H,3,6,8,10,14H2,1-2H3,(H2,26,33)/t17-/m1/s1
InChIKeyAFYFEFRDYYTPQH-QGZVFWFLSA-N
XLogP3.62
TPSA115.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175351494
[1-[7-methoxy-1-methyl-2-[1-(oxan-4-ylmethyl)indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175109884
[1-[2-(1-ethyl-5-fluoroindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175101015
[1-[2-(1-ethyl-7-methyl-6-oxopyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175099669
6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile
CID 122703018
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methyl-7-(methylamino)benzimidazol-5-yl]methanone
CID 122703008
[(3R)-1-[2-(6-ethyl-3-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175300697
[(3R)-1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] N-tert-butylcarbamate
CID 175103864
[(3S,6R)-1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-6-methylpiperidin-3-yl] carbamate
CID 175102325
[1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703087
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(2-hydroxyethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 122703159
[(3R)-3-aminopiperidin-1-yl]-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 122702856

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
The IUPAC name of [(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate (CID 175351492) is [(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate.
What is the SMILES notation for [(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
The canonical SMILES for [(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate is CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](OC(N)=O)C4)cc(O)c3n2C)cc2ccccc21.
What is the InChIKey of [(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
The InChIKey is AFYFEFRDYYTPQH-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27N5O4/c1-3-30-19-9-5-4-7-15(19)12-20(30)23-27-18-11-16(13-21(31)22(18)28(23)2)24(32)29-10-6-8-17(14-29)34-25(26)33/h4-5,7,9,11-13,17,31H,3,6,8,10,14H2,1-2H3,(H2,26,33)/t17-/m1/s1.
What are the key properties of [(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate?
[(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate has a molecular weight of 461.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate is sourced from PubChem (CID 175351492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).