(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone

C19H28N2O — CID 120629797

IUPAC(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCc3cc(C(C)(C)C)ccc32)CCN1
InChIInChI=1S/C19H28N2O/c1-13-11-15(7-9-20-13)18(22)21-10-8-14-12-16(19(2,3)4)5-6-17(14)21/h5-6,12-13,15,20H,7-11H2,1-4H3/t13-,15-/m0/s1
InChIKeyYIJLPUNORDKQFJ-ZFWWWQNUSA-N
MW300.45 g/mol
LogP3.26
Rot. Bonds1

About (5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone

(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone (PubChem CID 120629797) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
PubChem CID120629797
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCc3cc(C(C)(C)C)ccc32)CCN1
InChIInChI=1S/C19H28N2O/c1-13-11-15(7-9-20-13)18(22)21-10-8-14-12-16(19(2,3)4)5-6-17(14)21/h5-6,12-13,15,20H,7-11H2,1-4H3/t13-,15-/m0/s1
InChIKeyYIJLPUNORDKQFJ-ZFWWWQNUSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone with MolForge

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Related Compounds

(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120629796
(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 119765893
N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120635833
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
(2S,4S)-2-methyl-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]piperidine-4-carboxamide;hydrochloride
CID 120636790
1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 61157412
oxan-4-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 52572016
(5-methoxy-2,3-dihydroindol-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119760457
[(2S,4S)-2-methylpiperidin-4-yl]-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone;hydrochloride
CID 120634057
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;hydrochloride
CID 120641199
1,3-dihydroisoindol-2-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631484
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 120929973

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The IUPAC name of (5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone (CID 120629797) is (5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone.
What is the SMILES notation for (5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The canonical SMILES for (5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone is C[C@H]1C[C@@H](C(=O)N2CCc3cc(C(C)(C)C)ccc32)CCN1.
What is the InChIKey of (5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The InChIKey is YIJLPUNORDKQFJ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H28N2O/c1-13-11-15(7-9-20-13)18(22)21-10-8-14-12-16(19(2,3)4)5-6-17(14)21/h5-6,12-13,15,20H,7-11H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of (5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
(5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone has a molecular weight of 300.45 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2,3-dihydroindol-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 120629797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).