tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate

C18H24N6O3 — CID 55736386

IUPACtert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1
InChIInChI=1S/C18H24N6O3/c1-18(2,3)27-17(26)20-14-7-9-23(10-8-14)16(25)13-5-4-6-15(11-13)24-12-19-21-22-24/h4-6,11-12,14H,7-10H2,1-3H3,(H,20,26)
InChIKeyLUGBXUXICNIKOX-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.79
Rot. Bonds3

About tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate (PubChem CID 55736386) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate
PubChem CID55736386
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Nametert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1
InChIInChI=1S/C18H24N6O3/c1-18(2,3)27-17(26)20-14-7-9-23(10-8-14)16(25)13-5-4-6-15(11-13)24-12-19-21-22-24/h4-6,11-12,14H,7-10H2,1-3H3,(H,20,26)
InChIKeyLUGBXUXICNIKOX-UHFFFAOYSA-N
XLogP1.79
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
tert-butyl N-[1-(3-iodobenzoyl)piperidin-4-yl]carbamate
CID 55868992
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
tert-butyl N-[1-[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]piperidin-4-yl]carbamate
CID 71512903
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
(7-phenyl-1,4-thiazepan-4-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 90629300
2-methyl-4-phenyl-5-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 90540322
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate
CID 18539221
[3-(tetrazol-1-yl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone
CID 71798687
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate (CID 55736386) is tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccc(-n3cnnn3)c2)CC1.
What is the InChIKey of tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate?
The InChIKey is LUGBXUXICNIKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-18(2,3)27-17(26)20-14-7-9-23(10-8-14)16(25)13-5-4-6-15(11-13)24-12-19-21-22-24/h4-6,11-12,14H,7-10H2,1-3H3,(H,20,26).
What are the key properties of tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate has a molecular weight of 372.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 55736386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).