methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate

C22H28N2O5 — CID 146627004

IUPACmethyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2n1C
InChIInChI=1S/C22H28N2O5/c1-22(2,3)29-21(27)24-10-8-14(9-11-24)19(25)16-7-6-15-12-18(20(26)28-5)23(4)17(15)13-16/h6-7,12-14H,8-11H2,1-5H3
InChIKeyLJPFUUAVPNGZJG-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.79
Rot. Bonds3

About methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate

methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate (PubChem CID 146627004) has the molecular formula C22H28N2O5 and a molecular weight of 400.48 g/mol. Its IUPAC name is methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate
PubChem CID146627004
Molecular FormulaC22H28N2O5
Molecular Weight400.48 g/mol
Exact Mass400.20
IUPAC Namemethyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate
SMILESCOC(=O)c1cc2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2n1C
InChIInChI=1S/C22H28N2O5/c1-22(2,3)29-21(27)24-10-8-14(9-11-24)19(25)16-7-6-15-12-18(20(26)28-5)23(4)17(15)13-16/h6-7,12-14H,8-11H2,1-5H3
InChIKeyLJPFUUAVPNGZJG-UHFFFAOYSA-N
XLogP3.79
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988
tert-butyl 4-(3-bromobenzoyl)piperidine-1-carboxylate
CID 171314862
6-[1-[(4-methoxyphenyl)-methylcarbamoyl]piperidine-4-carbonyl]-1-methylindole-2-carboxylic acid
CID 146627030
tert-butyl 4-(1-oxo-3H-2-benzofuran-5-carbonyl)piperidine-1-carboxylate
CID 162407259
tert-butyl 4-[(2-chloro-5-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110424428
tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate
CID 154538792
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092066
methyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate
CID 162737939
tert-butyl (3R)-3-(4-bromobenzoyl)pyrrolidine-1-carboxylate
CID 124566348
tert-butyl (3R)-4-(6-methoxy-1-methylindole-2-carbonyl)-3-methylpiperazine-1-carboxylate
CID 146318904
tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate
CID 141001592

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate?
The IUPAC name of methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate (CID 146627004) is methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate is COC(=O)c1cc2ccc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)cc2n1C.
What is the InChIKey of methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate?
The InChIKey is LJPFUUAVPNGZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5/c1-22(2,3)29-21(27)24-10-8-14(9-11-24)19(25)16-7-6-15-12-18(20(26)28-5)23(4)17(15)13-16/h6-7,12-14H,8-11H2,1-5H3.
What are the key properties of methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate?
methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate has a molecular weight of 400.48 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]indole-2-carboxylate is sourced from PubChem (CID 146627004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).