tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate

C27H40N2O5 — CID 138688682

IUPACtert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate
SMILESCC(C)c1cn(C(=O)OC(C)(C)C)c2ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cc12
InChIInChI=1S/C27H40N2O5/c1-18(2)22-16-29(25(31)34-27(6,7)8)23-12-11-20(14-21(22)23)32-17-19-10-9-13-28(15-19)24(30)33-26(3,4)5/h11-12,14,16,18-19H,9-10,13,15,17H2,1-8H3
InChIKeyCZMMEDFWLWKBGD-UHFFFAOYSA-N
MW472.63 g/mol
LogP6.57
Rot. Bonds4

About tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate

tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate (PubChem CID 138688682) has the molecular formula C27H40N2O5 and a molecular weight of 472.63 g/mol. Its IUPAC name is tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate
PubChem CID138688682
Molecular FormulaC27H40N2O5
Molecular Weight472.63 g/mol
Exact Mass472.29
IUPAC Nametert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate
SMILESCC(C)c1cn(C(=O)OC(C)(C)C)c2ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cc12
InChIInChI=1S/C27H40N2O5/c1-18(2)22-16-29(25(31)34-27(6,7)8)23-12-11-20(14-21(22)23)32-17-19-10-9-13-28(15-19)24(30)33-26(3,4)5/h11-12,14,16,18-19H,9-10,13,15,17H2,1-8H3
InChIKeyCZMMEDFWLWKBGD-UHFFFAOYSA-N
XLogP6.57
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3R)-3-(phenoxymethyl)piperidine-1-carboxylate
CID 68644853
tert-butyl 3-[[4-(hydroxymethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 155887414
tert-butyl 3-[(4-ethynylphenoxy)methyl]piperidine-1-carboxylate
CID 155887415
tert-butyl 3-[(2,4,6-trifluorophenoxy)methyl]piperidine-1-carboxylate
CID 24902538
tert-butyl 3-[(2,6-difluorophenoxy)methyl]piperidine-1-carboxylate
CID 24902536
4-tert-butyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]benzoic acid
CID 68534159
tert-butyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
CID 155226204
tert-butyl 3-[(3-amino-4-methoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 166174101
tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175876
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740
tert-butyl 3-[(3-chloro-4-cyanophenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902709
tert-butyl (3S)-3-[(3-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168352

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate?
The IUPAC name of tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate (CID 138688682) is tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate is CC(C)c1cn(C(=O)OC(C)(C)C)c2ccc(OCC3CCCN(C(=O)OC(C)(C)C)C3)cc12.
What is the InChIKey of tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate?
The InChIKey is CZMMEDFWLWKBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O5/c1-18(2)22-16-29(25(31)34-27(6,7)8)23-12-11-20(14-21(22)23)32-17-19-10-9-13-28(15-19)24(30)33-26(3,4)5/h11-12,14,16,18-19H,9-10,13,15,17H2,1-8H3.
What are the key properties of tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate?
tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate has a molecular weight of 472.63 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methoxy]-3-propan-2-ylindole-1-carboxylate is sourced from PubChem (CID 138688682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).