tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate

C28H34N4O5 — CID 66604497

IUPACtert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)CC1
InChIInChI=1S/C28H34N4O5/c1-28(2,3)37-27(35)32-8-6-17(7-9-32)19-14-21-20-5-4-18(26(34)31-10-12-36-13-11-31)16-23(20)30-24(21)22(15-19)25(29)33/h4-5,14-17,30H,6-13H2,1-3H3,(H2,29,33)
InChIKeyGXECWNAAHFIAJC-UHFFFAOYSA-N
MW506.60 g/mol
LogP4.01
Rot. Bonds3

About tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate

tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate (PubChem CID 66604497) has the molecular formula C28H34N4O5 and a molecular weight of 506.60 g/mol. Its IUPAC name is tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate
PubChem CID66604497
Molecular FormulaC28H34N4O5
Molecular Weight506.60 g/mol
Exact Mass506.25
IUPAC Nametert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)CC1
InChIInChI=1S/C28H34N4O5/c1-28(2,3)37-27(35)32-8-6-17(7-9-32)19-14-21-20-5-4-18(26(34)31-10-12-36-13-11-31)16-23(20)30-24(21)22(15-19)25(29)33/h4-5,14-17,30H,6-13H2,1-3H3,(H2,29,33)
InChIKeyGXECWNAAHFIAJC-UHFFFAOYSA-N
XLogP4.01
TPSA117.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(morpholine-4-carbonyl)-3-(2-phenylethenyl)-9H-carbazole-1-carboxamide
CID 66605058
3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605846
7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide
CID 66605414
3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66604597
tert-butyl N-[1-[8-carbamoyl-6-(2-methoxyphenyl)-9H-carbazole-2-carbonyl]piperidin-4-yl]carbamate
CID 174644318
tert-butyl 4-(4-carbamothioylphenyl)piperidine-1-carboxylate
CID 172570363
3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carbothioamide
CID 90375232
CID 90383768
CID 90383768
[8-methyl-6-[(E)-2-phenylethenyl]-9H-carbazol-2-yl]-morpholin-4-ylmethanone
CID 175270355
3-(2-methoxyphenyl)-7-[4-(2-methylpropyl)piperidine-1-carbonyl]-9H-carbazole-1-carboxamide
CID 174744783
tert-butyl 4-(4-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate
CID 130377934
7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide
CID 90376698

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate (CID 66604497) is tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCOCC5)ccc4c3c2)CC1.
What is the InChIKey of tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate?
The InChIKey is GXECWNAAHFIAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5/c1-28(2,3)37-27(35)32-8-6-17(7-9-32)19-14-21-20-5-4-18(26(34)31-10-12-36-13-11-31)16-23(20)30-24(21)22(15-19)25(29)33/h4-5,14-17,30H,6-13H2,1-3H3,(H2,29,33).
What are the key properties of tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate has a molecular weight of 506.60 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 66604497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).