(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone

C20H24N4O — CID 125006215

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc([C@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)[nH]1
InChIInChI=1S/C20H24N4O/c1-12-10-21-19(22-12)16-5-4-8-24(11-16)20(25)15-6-7-18-17(9-15)13(2)14(3)23-18/h6-7,9-10,16,23H,4-5,8,11H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyUEPWKKYHLMQMAJ-INIZCTEOSA-N
MW336.44 g/mol
LogP3.84
Rot. Bonds2

About (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone

(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 125006215) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID125006215
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc([C@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)[nH]1
InChIInChI=1S/C20H24N4O/c1-12-10-21-19(22-12)16-5-4-8-24(11-16)20(25)15-6-7-18-17(9-15)13(2)14(3)23-18/h6-7,9-10,16,23H,4-5,8,11H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyUEPWKKYHLMQMAJ-INIZCTEOSA-N
XLogP3.84
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110104147
(2,3-dimethyl-1H-indol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 42958743
1,3-benzodioxol-5-yl-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125025134
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 125015112
(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 94784044
(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274
(3,5-difluorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125011983
(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105547
(2,3-dimethyl-1H-indol-5-yl)-(4-methylazepan-1-yl)methanone
CID 62046658
3-methyl-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 124989932
[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124955112

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 125006215) is (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone is Cc1cnc([C@H]2CCCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)[nH]1.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is UEPWKKYHLMQMAJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N4O/c1-12-10-21-19(22-12)16-5-4-8-24(11-16)20(25)15-6-7-18-17(9-15)13(2)14(3)23-18/h6-7,9-10,16,23H,4-5,8,11H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 336.44 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 125006215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).