1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one

C29H31FN2O2 — CID 22158363

IUPAC1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one
SMILESO=C1Cc2cc(F)ccc2N1CCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H31FN2O2/c30-25-12-13-27-24(20-25)21-28(33)32(27)17-7-16-31-18-14-26(15-19-31)34-29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-13,20,26,29H,7,14-19,21H2
InChIKeyUWZOJTWWUBBJLE-UHFFFAOYSA-N
MW458.58 g/mol
LogP5.38
Rot. Bonds8

About 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one

1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one (PubChem CID 22158363) has the molecular formula C29H31FN2O2 and a molecular weight of 458.58 g/mol. Its IUPAC name is 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one.

Molecular Properties

Compound Name1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one
PubChem CID22158363
Molecular FormulaC29H31FN2O2
Molecular Weight458.58 g/mol
Exact Mass458.24
IUPAC Name1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one
SMILESO=C1Cc2cc(F)ccc2N1CCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H31FN2O2/c30-25-12-13-27-24(20-25)21-28(33)32(27)17-7-16-31-18-14-26(15-19-31)34-29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-13,20,26,29H,7,14-19,21H2
InChIKeyUWZOJTWWUBBJLE-UHFFFAOYSA-N
XLogP5.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one
CID 70356191
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393
3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride
CID 67831048
7-[4-[(4-ethylphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 139601792
N-[2-[3-(4-benzhydryloxypiperidin-1-yl)propoxy]-4-fluorophenyl]methanesulfonamide
CID 19776786
5-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-1,2-dihydropyrazol-3-one
CID 139981398
1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-3H-indol-2-one
CID 58172370
1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one
CID 58172371
4-[4-[(2-chlorophenyl)-phenylmethoxy]piperidin-1-yl]butanoic acid;hydrochloride
CID 67831658
methyl 6-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]hexanoate;hydrochloride
CID 67903111
3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione
CID 22449877
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one?
The IUPAC name of 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one (CID 22158363) is 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one.
What is the SMILES notation for 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one?
The canonical SMILES for 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one is O=C1Cc2cc(F)ccc2N1CCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one?
The InChIKey is UWZOJTWWUBBJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN2O2/c30-25-12-13-27-24(20-25)21-28(33)32(27)17-7-16-31-18-14-26(15-19-31)34-29(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-13,20,26,29H,7,14-19,21H2.
What are the key properties of 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one?
1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one has a molecular weight of 458.58 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-5-fluoro-3H-indol-2-one is sourced from PubChem (CID 22158363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).