[4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone

C24H30N2O2 — CID 141158209

IUPAC[4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCCCN1CCC(Oc2ccc(C(=O)N3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C24H30N2O2/c1-2-3-15-25-16-13-22(14-17-25)28-21-10-8-20(9-11-21)24(27)26-18-12-19-6-4-5-7-23(19)26/h4-11,22H,2-3,12-18H2,1H3
InChIKeyRQMLVHNRZPYXNH-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.53
Rot. Bonds6

About [4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone

[4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 141158209) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is [4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID141158209
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name[4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone
SMILESCCCCN1CCC(Oc2ccc(C(=O)N3CCc4ccccc43)cc2)CC1
InChIInChI=1S/C24H30N2O2/c1-2-3-15-25-16-13-22(14-17-25)28-21-10-8-20(9-11-21)24(27)26-18-12-19-6-4-5-7-23(19)26/h4-11,22H,2-3,12-18H2,1H3
InChIKeyRQMLVHNRZPYXNH-UHFFFAOYSA-N
XLogP4.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-(4-heptoxyphenyl)methanone
CID 4950634
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
2,3-dihydroindol-1-yl-[4-(2-ethoxyethoxy)phenyl]methanone
CID 17112600
(3-bromo-4-butoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 4955762
3,4-dihydro-2H-quinolin-1-yl-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10362298
[4-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24793060
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
4-(4-phenoxypiperidin-1-yl)butanoic acid
CID 119134907
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 17073764
3-[4-(2,3-dihydroindole-1-carbonyl)anilino]-1-methylpyrrolidin-2-one
CID 132969975

Frequently Asked Questions

What is the IUPAC name of [4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone (CID 141158209) is [4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone is CCCCN1CCC(Oc2ccc(C(=O)N3CCc4ccccc43)cc2)CC1.
What is the InChIKey of [4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is RQMLVHNRZPYXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-2-3-15-25-16-13-22(14-17-25)28-21-10-8-20(9-11-21)24(27)26-18-12-19-6-4-5-7-23(19)26/h4-11,22H,2-3,12-18H2,1H3.
What are the key properties of [4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone?
[4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 378.52 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 141158209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).