2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone

C30H34N2O2 — CID 11996345

IUPAC2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone
SMILESCC(C)Oc1ccccc1C1CCN(Cc2ccc(C(=O)N3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C30H34N2O2/c1-22(2)34-29-10-6-4-8-27(29)24-15-18-31(19-16-24)21-23-11-13-26(14-12-23)30(33)32-20-17-25-7-3-5-9-28(25)32/h3-14,22,24H,15-21H2,1-2H3
InChIKeyMWFMFFDIBKLCPJ-UHFFFAOYSA-N
MW454.61 g/mol
LogP6.06
Rot. Bonds6

About 2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone

2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone (PubChem CID 11996345) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone
PubChem CID11996345
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone
SMILESCC(C)Oc1ccccc1C1CCN(Cc2ccc(C(=O)N3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C30H34N2O2/c1-22(2)34-29-10-6-4-8-27(29)24-15-18-31(19-16-24)21-23-11-13-26(14-12-23)30(33)32-20-17-25-7-3-5-9-28(25)32/h3-14,22,24H,15-21H2,1-2H3
InChIKeyMWFMFFDIBKLCPJ-UHFFFAOYSA-N
XLogP6.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[1-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzoyl]-2,3-dihydroindol-6-yl]benzenesulfonamide
CID 11995781
(5-fluoro-2,3-dihydroindol-1-yl)-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methanone
CID 58692272
2,3-dihydroindol-1-yl-[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]methanone
CID 38106390
[4-(diethoxyphosphorylmethyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 15053682
3,4-dihydro-2H-quinolin-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 86893884
2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 43926287
1-methyl-2-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]benzimidazole
CID 24815438
[4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 141158209
1-[(4-chlorophenyl)methyl]-5-(2,3-dihydroindole-1-carbonyl)pyridin-2-one
CID 26843891
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
2,6-dimethoxy-N-[1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]-2,3-dihydroindol-6-yl]benzamide
CID 91207748

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone (CID 11996345) is 2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone is CC(C)Oc1ccccc1C1CCN(Cc2ccc(C(=O)N3CCc4ccccc43)cc2)CC1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone?
The InChIKey is MWFMFFDIBKLCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-22(2)34-29-10-6-4-8-27(29)24-15-18-31(19-16-24)21-23-11-13-26(14-12-23)30(33)32-20-17-25-7-3-5-9-28(25)32/h3-14,22,24H,15-21H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone?
2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone has a molecular weight of 454.61 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[4-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 11996345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).