[(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone

C22H25N3O — CID 42100234

IUPAC[(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone
SMILESCc1[nH]c2c(C(=O)N3CCC[C@@H](Nc4ccccc4)C3)cccc2c1C
InChIInChI=1S/C22H25N3O/c1-15-16(2)23-21-19(15)11-6-12-20(21)22(26)25-13-7-10-18(14-25)24-17-8-4-3-5-9-17/h3-6,8-9,11-12,18,23-24H,7,10,13-14H2,1-2H3/t18-/m1/s1
InChIKeyACOYPMDQNLHHSR-GOSISDBHSA-N
MW347.46 g/mol
LogP4.50
Rot. Bonds3

About [(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone

[(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone (PubChem CID 42100234) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is [(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone
PubChem CID42100234
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name[(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone
SMILESCc1[nH]c2c(C(=O)N3CCC[C@@H](Nc4ccccc4)C3)cccc2c1C
InChIInChI=1S/C22H25N3O/c1-15-16(2)23-21-19(15)11-6-12-20(21)22(26)25-13-7-10-18(14-25)24-17-8-4-3-5-9-17/h3-6,8-9,11-12,18,23-24H,7,10,13-14H2,1-2H3/t18-/m1/s1
InChIKeyACOYPMDQNLHHSR-GOSISDBHSA-N
XLogP4.50
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.50
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

(3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)-N-propylpiperidine-3-carboxamide
CID 94365647
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283
N-[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 97433741
[(3S)-3-anilinopiperidin-1-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 25275368
(2,3-dimethyl-1H-indol-7-yl)-(4-methylpiperazin-1-yl)methanone
CID 78852296
(2,3-dimethyl-1H-indol-7-yl)-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone
CID 71909803
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone
CID 74233521
ethyl 4-[[4-[[1-(2,3-dimethyl-1H-indole-7-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
CID 45223446
ethyl 4-[[4-[[(3S)-1-(2,3-dimethyl-1H-indole-7-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
CID 26327852
(2,3-dimethyl-1H-indol-7-yl)-thiomorpholin-4-ylmethanone
CID 87019766
(3R,4R)-4-cyclopropyl-1-(2,3-dimethyl-1H-indole-7-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978142
(3-anilinopiperidin-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 45192484

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone?
The IUPAC name of [(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone (CID 42100234) is [(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone.
What is the SMILES notation for [(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone?
The canonical SMILES for [(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone is Cc1[nH]c2c(C(=O)N3CCC[C@@H](Nc4ccccc4)C3)cccc2c1C.
What is the InChIKey of [(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone?
The InChIKey is ACOYPMDQNLHHSR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-16(2)23-21-19(15)11-6-12-20(21)22(26)25-13-7-10-18(14-25)24-17-8-4-3-5-9-17/h3-6,8-9,11-12,18,23-24H,7,10,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of [(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone?
[(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone has a molecular weight of 347.46 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-anilinopiperidin-1-yl]-(2,3-dimethyl-1H-indol-7-yl)methanone is sourced from PubChem (CID 42100234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).