tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate

C26H33N3O3 — CID 55820004

IUPACtert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2CN2CCc3ccccc32)CC1
InChIInChI=1S/C26H33N3O3/c1-26(2,3)32-25(31)28-15-13-20(14-16-28)24(30)27-22-10-6-4-9-21(22)18-29-17-12-19-8-5-7-11-23(19)29/h4-11,20H,12-18H2,1-3H3,(H,27,30)
InChIKeyYOTBXZDGCIHDKL-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.83
Rot. Bonds4

About tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 55820004) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID55820004
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Nametert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2CN2CCc3ccccc32)CC1
InChIInChI=1S/C26H33N3O3/c1-26(2,3)32-25(31)28-15-13-20(14-16-28)24(30)27-22-10-6-4-9-21(22)18-29-17-12-19-8-5-7-11-23(19)29/h4-11,20H,12-18H2,1-3H3,(H,27,30)
InChIKeyYOTBXZDGCIHDKL-UHFFFAOYSA-N
XLogP4.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate with MolForge

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Related Compounds

(3S)-1-cyclopropyl-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94619774
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 75502903
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-(2-methoxyethoxy)acetamide
CID 60532329
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]propanamide
CID 119853062
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314
2-[(2-chlorophenyl)methoxy]-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]acetamide
CID 55895342
tert-butyl 4-[[2-(2-ethylanilino)-2-oxoethyl]-methylcarbamoyl]piperidine-1-carboxylate
CID 9378593
tert-butyl 4-[[2-fluoro-3-[(4-oxopiperidin-1-yl)sulfanylmethyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 167470240
3-amino-N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503054
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
tert-butyl 4-[[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 56515888

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate (CID 55820004) is tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2CN2CCc3ccccc32)CC1.
What is the InChIKey of tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is YOTBXZDGCIHDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-26(2,3)32-25(31)28-15-13-20(14-16-28)24(30)27-22-10-6-4-9-21(22)18-29-17-12-19-8-5-7-11-23(19)29/h4-11,20H,12-18H2,1-3H3,(H,27,30).
What are the key properties of tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 435.57 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-(2,3-dihydroindol-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 55820004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).