[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone

C28H28N6O — CID 122702932

IUPAC[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone
SMILESCn1c(-c2cc3ccccc3n2Cc2cccnc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21
InChIInChI=1S/C28H28N6O/c1-32-25-11-10-21(28(35)33-13-5-8-22(29)18-33)14-23(25)31-27(32)26-15-20-7-2-3-9-24(20)34(26)17-19-6-4-12-30-16-19/h2-4,6-7,9-12,14-16,22H,5,8,13,17-18,29H2,1H3/t22-/m1/s1
InChIKeyQACWCQBZUSEKHJ-JOCHJYFZSA-N
MW464.57 g/mol
LogP4.20
Rot. Bonds4

About [(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone (PubChem CID 122702932) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone
PubChem CID122702932
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone
SMILESCn1c(-c2cc3ccccc3n2Cc2cccnc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21
InChIInChI=1S/C28H28N6O/c1-32-25-11-10-21(28(35)33-13-5-8-22(29)18-33)14-23(25)31-27(32)26-15-20-7-2-3-9-24(20)34(26)17-19-6-4-12-30-16-19/h2-4,6-7,9-12,14-16,22H,5,8,13,17-18,29H2,1H3/t22-/m1/s1
InChIKeyQACWCQBZUSEKHJ-JOCHJYFZSA-N
XLogP4.20
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-(1-propan-2-ylindol-2-yl)benzimidazol-5-yl]methanone
CID 135355682
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-1-methylbenzimidazol-5-yl]methanone
CID 72725333
N'-[1-[2-(1-benzylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]-2-chloroethanimidamide
CID 135355617
[(3R)-1-[2-(1-benzylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]-tert-butylcarbamic acid
CID 135355528
[(3R)-1-[1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 135355683
[(3R)-1-[2-[1-[(4-iodophenyl)methyl]indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 135355666
[(3R)-3-aminopiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5-phenylpyrrol-2-yl]-1-methylbenzimidazol-5-yl]methanone;hydrochloride
CID 130366803
[(3R)-1-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazole-4-carbonyl]piperidin-3-yl]carbamic acid
CID 122703141
(3-aminopiperidin-1-yl)-[2-(1-ethyl-5-hydroxypyrrolo[2,3-b]pyridin-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 123925395
[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone
CID 122703090
tert-butyl-[(3R)-1-[1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703163
6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile
CID 122703018

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone (CID 122702932) is [(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone is Cn1c(-c2cc3ccccc3n2Cc2cccnc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone?
The InChIKey is QACWCQBZUSEKHJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H28N6O/c1-32-25-11-10-21(28(35)33-13-5-8-22(29)18-33)14-23(25)31-27(32)26-15-20-7-2-3-9-24(20)34(26)17-19-6-4-12-30-16-19/h2-4,6-7,9-12,14-16,22H,5,8,13,17-18,29H2,1H3/t22-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone has a molecular weight of 464.57 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(pyridin-3-ylmethyl)indol-2-yl]benzimidazol-5-yl]methanone is sourced from PubChem (CID 122702932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).