[(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone

C25H29N5O2 — CID 145189517

IUPAC[(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
SMILESCCn1c(-c2nc3cc(C(=O)N4CC(N)C[C@@H](OC)C4)ccc3n2C)cc2ccccc21
InChIInChI=1S/C25H29N5O2/c1-4-30-21-8-6-5-7-16(21)12-23(30)24-27-20-11-17(9-10-22(20)28(24)2)25(31)29-14-18(26)13-19(15-29)32-3/h5-12,18-19H,4,13-15,26H2,1-3H3/t18?,19-/m1/s1
InChIKeyPMLRDAUJPMIAIB-MUMRKEEXSA-N
MW431.54 g/mol
LogP3.40
Rot. Bonds4

About [(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone

[(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone (PubChem CID 145189517) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is [(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone.

Molecular Properties

Compound Name[(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
PubChem CID145189517
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name[(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
SMILESCCn1c(-c2nc3cc(C(=O)N4CC(N)C[C@@H](OC)C4)ccc3n2C)cc2ccccc21
InChIInChI=1S/C25H29N5O2/c1-4-30-21-8-6-5-7-16(21)12-23(30)24-27-20-11-17(9-10-22(20)28(24)2)25(31)29-14-18(26)13-19(15-29)32-3/h5-12,18-19H,4,13-15,26H2,1-3H3/t18?,19-/m1/s1
InChIKeyPMLRDAUJPMIAIB-MUMRKEEXSA-N
XLogP3.40
TPSA78.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone with MolForge

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Related Compounds

[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 122703090
(3-amino-4-ethoxypiperidin-1-yl)-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 122703052
1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidine-4-carboxamide
CID 122703075
[1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-4-methoxypiperidin-3-yl]carbamic acid
CID 135355644
1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-5-[(2,2,2-trifluoroacetyl)amino]piperidine-3-carboxamide
CID 135355636
[(3S,6R)-1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-6-methylpiperidin-3-yl] carbamate
CID 175102325
N-[1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-5-hydroxypiperidin-3-yl]-2,2,2-trifluoroacetamide
CID 122703078
[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone
CID 122702932
tert-butyl N-[1-[2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]-4-hydroxypiperidin-3-yl]carbamate
CID 142741788
6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile
CID 122703018
[1-[2-(1-ethyl-5-fluoroindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175101015
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methyl-7-(methylamino)benzimidazol-5-yl]methanone
CID 122703008

Frequently Asked Questions

What is the IUPAC name of [(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone?
The IUPAC name of [(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone (CID 145189517) is [(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone.
What is the SMILES notation for [(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone?
The canonical SMILES for [(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone is CCn1c(-c2nc3cc(C(=O)N4CC(N)C[C@@H](OC)C4)ccc3n2C)cc2ccccc21.
What is the InChIKey of [(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone?
The InChIKey is PMLRDAUJPMIAIB-MUMRKEEXSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-4-30-21-8-6-5-7-16(21)12-23(30)24-27-20-11-17(9-10-22(20)28(24)2)25(31)29-14-18(26)13-19(15-29)32-3/h5-12,18-19H,4,13-15,26H2,1-3H3/t18?,19-/m1/s1.
What are the key properties of [(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone?
[(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone has a molecular weight of 431.54 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-amino-5-methoxypiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone is sourced from PubChem (CID 145189517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).