(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

C22H24N2O2 — CID 41025049

IUPAC(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H24N2O2/c1-16-15-19-9-5-6-10-20(19)24(16)22(26)18-11-13-23(14-12-18)21(25)17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3/t16-/m0/s1
InChIKeyPYNBSUIEYYPUJU-INIZCTEOSA-N
MW348.45 g/mol
LogP3.52
Rot. Bonds2

About (1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 41025049) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID41025049
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H24N2O2/c1-16-15-19-9-5-6-10-20(19)24(16)22(26)18-11-13-23(14-12-18)21(25)17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3/t16-/m0/s1
InChIKeyPYNBSUIEYYPUJU-INIZCTEOSA-N
XLogP3.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chlorobenzoyl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17119359
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27260871
[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112532262
1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113008488
(1,1-dioxothian-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863895
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 119411813
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46689019
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 41025049) is (1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is C[C@H]1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is PYNBSUIEYYPUJU-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-15-19-9-5-6-10-20(19)24(16)22(26)18-11-13-23(14-12-18)21(25)17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3/t16-/m0/s1.
What are the key properties of (1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 41025049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).