tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate

C31H34N4O5 — CID 174644318

IUPACtert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate
SMILESCOc1ccccc1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCC(NC(=O)OC(C)(C)C)CC4)ccc3c2c1
InChIInChI=1S/C31H34N4O5/c1-31(2,3)40-30(38)33-20-11-13-35(14-12-20)29(37)18-9-10-22-23-15-19(21-7-5-6-8-26(21)39-4)16-24(28(32)36)27(23)34-25(22)17-18/h5-10,15-17,20,34H,11-14H2,1-4H3,(H2,32,36)(H,33,38)
InChIKeyOYXUEHUXLQFPMQ-UHFFFAOYSA-N
MW542.64 g/mol
LogP5.22
Rot. Bonds5

About tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate (PubChem CID 174644318) has the molecular formula C31H34N4O5 and a molecular weight of 542.64 g/mol. Its IUPAC name is tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate
PubChem CID174644318
Molecular FormulaC31H34N4O5
Molecular Weight542.64 g/mol
Exact Mass542.25
IUPAC Nametert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate
SMILESCOc1ccccc1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCC(NC(=O)OC(C)(C)C)CC4)ccc3c2c1
InChIInChI=1S/C31H34N4O5/c1-31(2,3)40-30(38)33-20-11-13-35(14-12-20)29(37)18-9-10-22-23-15-19(21-7-5-6-8-26(21)39-4)16-24(28(32)36)27(23)34-25(22)17-18/h5-10,15-17,20,34H,11-14H2,1-4H3,(H2,32,36)(H,33,38)
InChIKeyOYXUEHUXLQFPMQ-UHFFFAOYSA-N
XLogP5.22
TPSA126.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.64
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

3-(2-methoxyphenyl)-7-[4-(2-methylpropyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 174744783
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
3-(3-fluoro-4-methoxyphenyl)-6-(4-hydroxypiperidine-1-carbonyl)-9H-carbazole-1-carboxamide
CID 66604954
tert-butyl N-[1-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736788
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605846
tert-butyl N-[1-(3-methoxy-4-prop-2-enoxybenzoyl)piperidin-4-yl]carbamate
CID 55736625
tert-butyl N-[1-(2-bromo-6-methoxybenzoyl)piperidin-4-yl]carbamate
CID 171934603
3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66604597
tert-butyl N-[1-(3-iodobenzoyl)piperidin-4-yl]carbamate
CID 55868992
3-(3-fluoro-4-methoxyphenyl)-7-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66599529
tert-butyl N-[1-(4-methoxy-1-benzofuran-3-carbonyl)piperidin-4-yl]carbamate
CID 70197899

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate (CID 174644318) is tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate is COc1ccccc1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCC(NC(=O)OC(C)(C)C)CC4)ccc3c2c1.
What is the InChIKey of tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate?
The InChIKey is OYXUEHUXLQFPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O5/c1-31(2,3)40-30(38)33-20-11-13-35(14-12-20)29(37)18-9-10-22-23-15-19(21-7-5-6-8-26(21)39-4)16-24(28(32)36)27(23)34-25(22)17-18/h5-10,15-17,20,34H,11-14H2,1-4H3,(H2,32,36)(H,33,38).
What are the key properties of tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate has a molecular weight of 542.64 g/mol, XLogP of 5.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 174644318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).