[(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone

C22H25N3O — CID 97137913

IUPAC[(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
SMILESCc1cc(C)c2[nH]c(C(=O)N3CCCC[C@H]3c3ccccn3)c(C)c2c1
InChIInChI=1S/C22H25N3O/c1-14-12-15(2)20-17(13-14)16(3)21(24-20)22(26)25-11-7-5-9-19(25)18-8-4-6-10-23-18/h4,6,8,10,12-13,19,24H,5,7,9,11H2,1-3H3/t19-/m0/s1
InChIKeyFMSPQLDHOYWLCV-IBGZPJMESA-N
MW347.46 g/mol
LogP4.86
Rot. Bonds2

About [(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone

[(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone (PubChem CID 97137913) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is [(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
PubChem CID97137913
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name[(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
SMILESCc1cc(C)c2[nH]c(C(=O)N3CCCC[C@H]3c3ccccn3)c(C)c2c1
InChIInChI=1S/C22H25N3O/c1-14-12-15(2)20-17(13-14)16(3)21(24-20)22(26)25-11-7-5-9-19(25)18-8-4-6-10-23-18/h4,6,8,10,12-13,19,24H,5,7,9,11H2,1-3H3/t19-/m0/s1
InChIKeyFMSPQLDHOYWLCV-IBGZPJMESA-N
XLogP4.86
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-pyridin-3-ylpyrrolidin-1-yl)-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 131934792
(3,5-dichloro-4-methylphenyl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 97144676
(2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72876256
(5-methyl-1,3-oxazol-4-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95871537
6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 95871248
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95894350
(3-amino-4-chloro-1H-pyrazol-5-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 77084225
4-[(2S)-2-pyridin-2-ylpiperidine-1-carbonyl]-2H-phthalazin-1-one
CID 99953113
4-(2-pyridin-2-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 77093447
[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone
CID 97122706
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 130423530
(5-ethoxyfuran-2-yl)-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 86285632

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone?
The IUPAC name of [(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone (CID 97137913) is [(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone?
The canonical SMILES for [(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone is Cc1cc(C)c2[nH]c(C(=O)N3CCCC[C@H]3c3ccccn3)c(C)c2c1.
What is the InChIKey of [(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone?
The InChIKey is FMSPQLDHOYWLCV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O/c1-14-12-15(2)20-17(13-14)16(3)21(24-20)22(26)25-11-7-5-9-19(25)18-8-4-6-10-23-18/h4,6,8,10,12-13,19,24H,5,7,9,11H2,1-3H3/t19-/m0/s1.
What are the key properties of [(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone?
[(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone has a molecular weight of 347.46 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-pyridin-2-ylpiperidin-1-yl]-(3,5,7-trimethyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 97137913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).