(1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate

C27H28N2O2 — CID 139668318

IUPAC(1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate
SMILESO=C(OC1CCN(Cc2ccccc2)CC1)C1Cc2ccccc2N1c1ccccc1
InChIInChI=1S/C27H28N2O2/c30-27(31-24-15-17-28(18-16-24)20-21-9-3-1-4-10-21)26-19-22-11-7-8-14-25(22)29(26)23-12-5-2-6-13-23/h1-14,24,26H,15-20H2
InChIKeyUYJOIHKSEMFBCS-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.96
Rot. Bonds5

About (1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate

(1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate (PubChem CID 139668318) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate
PubChem CID139668318
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name(1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate
SMILESO=C(OC1CCN(Cc2ccccc2)CC1)C1Cc2ccccc2N1c1ccccc1
InChIInChI=1S/C27H28N2O2/c30-27(31-24-15-17-28(18-16-24)20-21-9-3-1-4-10-21)26-19-22-11-7-8-14-25(22)29(26)23-12-5-2-6-13-23/h1-14,24,26H,15-20H2
InChIKeyUYJOIHKSEMFBCS-UHFFFAOYSA-N
XLogP4.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3-chlorophenyl)methyl]piperidin-4-yl] 1-phenyl-2,3-dihydroindole-2-carboxylate
CID 139668320
(1-benzylpiperidin-4-yl) prop-2-enyl carbonate
CID 11242829
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113
(1-benzylpiperidin-4-yl) 2-methylbenzoate
CID 18919792
1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one
CID 10687182
(1-benzylpiperidin-4-yl) N-(1,1-diphenylethyl)carbamate
CID 10693138
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
ethyl 1-(4-propan-2-ylphenyl)-2,3-dihydroindole-2-carboxylate
CID 174520970
(1-benzylpiperidin-4-yl) 3-iodobenzoate;hydrochloride
CID 18919861
[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride
CID 18919781

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate?
The IUPAC name of (1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate (CID 139668318) is (1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for (1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for (1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate is O=C(OC1CCN(Cc2ccccc2)CC1)C1Cc2ccccc2N1c1ccccc1.
What is the InChIKey of (1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate?
The InChIKey is UYJOIHKSEMFBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c30-27(31-24-15-17-28(18-16-24)20-21-9-3-1-4-10-21)26-19-22-11-7-8-14-25(22)29(26)23-12-5-2-6-13-23/h1-14,24,26H,15-20H2.
What are the key properties of (1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate?
(1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate has a molecular weight of 412.53 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl) 1-phenyl-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 139668318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).