tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate

C29H35N3O5 — CID 121258457

IUPACtert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1Cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2N1
InChIInChI=1S/C29H35N3O5/c1-28(2,3)37-27(34)32-13-5-4-6-23(32)22-15-18-14-20(8-9-21(18)31-22)30-26(33)29(11-12-29)19-7-10-24-25(16-19)36-17-35-24/h7-10,14,16,22-23,31H,4-6,11-13,15,17H2,1-3H3,(H,30,33)
InChIKeyAQBXIXOLAQQBDO-UHFFFAOYSA-N
MW505.62 g/mol
LogP5.21
Rot. Bonds4

About tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate

tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate (PubChem CID 121258457) has the molecular formula C29H35N3O5 and a molecular weight of 505.62 g/mol. Its IUPAC name is tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate
PubChem CID121258457
Molecular FormulaC29H35N3O5
Molecular Weight505.62 g/mol
Exact Mass505.26
IUPAC Nametert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1Cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2N1
InChIInChI=1S/C29H35N3O5/c1-28(2,3)37-27(34)32-13-5-4-6-23(32)22-15-18-14-20(8-9-21(18)31-22)30-26(33)29(11-12-29)19-7-10-24-25(16-19)36-17-35-24/h7-10,14,16,22-23,31H,4-6,11-13,15,17H2,1-3H3,(H,30,33)
InChIKeyAQBXIXOLAQQBDO-UHFFFAOYSA-N
XLogP5.21
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-amino-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]-2-methylpropyl]carbamate
CID 159502021
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-fluoro-2,3-dihydro-1H-indol-5-yl)cyclopropane-1-carboxamide
CID 71164078
N-(2-tert-butyl-2,3-dihydro-1H-indol-5-yl)-1-(3-methylidene-1-benzofuran-6-yl)cyclopropane-1-carboxamide
CID 89329046
tert-butyl N-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-N-(2-methylpropyl)carbamate
CID 67044081
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113198960
N-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]methyl]cyclopentanecarboxamide
CID 59206811
1-(1,3-benzodioxol-5-yl)-N-(7-methylidene-1,2,3,4,5,6-hexahydro-1-benzazonin-9-yl)cyclopropane-1-carboxamide
CID 118328236
1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1-methylindol-5-yl)cyclopropane-1-carboxamide
CID 46199712
N-[2-(1-acetamido-2-methylpropan-2-yl)-2,3-dihydro-1H-indol-5-yl]-1-(3-methylidene-1-benzofuran-5-yl)cyclopropane-1-carboxamide
CID 89071315
1-(1,3-benzodioxol-5-yl)-N-[3-(2,4-dimethylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206111
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]benzoic acid
CID 59206051
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]-3-methylbenzoic acid
CID 59206059

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate (CID 121258457) is tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C1Cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2N1.
What is the InChIKey of tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate?
The InChIKey is AQBXIXOLAQQBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O5/c1-28(2,3)37-27(34)32-13-5-4-6-23(32)22-15-18-14-20(8-9-21(18)31-22)30-26(33)29(11-12-29)19-7-10-24-25(16-19)36-17-35-24/h7-10,14,16,22-23,31H,4-6,11-13,15,17H2,1-3H3,(H,30,33).
What are the key properties of tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate?
tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate has a molecular weight of 505.62 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2,3-dihydro-1H-indol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 121258457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).