tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate

C21H27N3O3 — CID 55972152

IUPACtert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)Cc2cccc3cccnc23)CC1
InChIInChI=1S/C21H27N3O3/c1-21(2,3)27-20(26)23-17-9-12-24(13-10-17)18(25)14-16-7-4-6-15-8-5-11-22-19(15)16/h4-8,11,17H,9-10,12-14H2,1-3H3,(H,23,26)
InChIKeyCZTQUYWTQNDFGV-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.29
Rot. Bonds3

About tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate (PubChem CID 55972152) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate
PubChem CID55972152
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Nametert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)Cc2cccc3cccnc23)CC1
InChIInChI=1S/C21H27N3O3/c1-21(2,3)27-20(26)23-17-9-12-24(13-10-17)18(25)14-16-7-4-6-15-8-5-11-22-19(15)16/h4-8,11,17H,9-10,12-14H2,1-3H3,(H,23,26)
InChIKeyCZTQUYWTQNDFGV-UHFFFAOYSA-N
XLogP3.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[N-ethyl-N'-(2-quinolin-8-ylethyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729649
tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate
CID 55868751
tert-butyl 3-(quinolin-8-ylmethylamino)azetidine-1-carboxylate
CID 103740770
tert-butyl N-[1-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]piperidin-4-yl]carbamate
CID 55971768
tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate
CID 113263719
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-8-ylpropanoic acid
CID 103666134
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
CID 51320584
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
tert-butyl N-[1-[N-[(2-ethoxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111728943

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate (CID 55972152) is tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)Cc2cccc3cccnc23)CC1.
What is the InChIKey of tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate?
The InChIKey is CZTQUYWTQNDFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-21(2,3)27-20(26)23-17-9-12-24(13-10-17)18(25)14-16-7-4-6-15-8-5-11-22-19(15)16/h4-8,11,17H,9-10,12-14H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate has a molecular weight of 369.47 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-quinolin-8-ylacetyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 55972152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).