tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate

C15H26N6O2 — CID 60512817

IUPACtert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C15H26N6O2/c1-15(2,3)23-14(22)16-11-6-8-20(9-7-11)10-13-17-18-19-21(13)12-4-5-12/h11-12H,4-10H2,1-3H3,(H,16,22)
InChIKeySBTONWOJEAGHQC-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.50
Rot. Bonds4

About tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate (PubChem CID 60512817) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate
PubChem CID60512817
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Nametert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(Cc2nnnn2C2CC2)CC1
InChIInChI=1S/C15H26N6O2/c1-15(2,3)23-14(22)16-11-6-8-20(9-7-11)10-13-17-18-19-21(13)12-4-5-12/h11-12H,4-10H2,1-3H3,(H,16,22)
InChIKeySBTONWOJEAGHQC-UHFFFAOYSA-N
XLogP1.50
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]carbamate
CID 22182435
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate
CID 75480519
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
CID 47022227
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
tert-butyl N-[1-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-yl]carbamate
CID 129121860
[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]-1,3-thiazol-5-yl] ethanesulfonate
CID 135323560
tert-butyl N-[1-[(5-fluorothiophen-2-yl)methyl]piperidin-4-yl]carbamate
CID 50896527
[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methanesulfinic acid
CID 174605400
tert-butyl N-[1-(oxiran-2-ylmethyl)piperidin-4-yl]carbamate
CID 87133691
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277
tert-butyl N-[1-[(2-bromo-4-pyridinyl)methyl]piperidin-4-yl]carbamate
CID 71632186

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate (CID 60512817) is tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(Cc2nnnn2C2CC2)CC1.
What is the InChIKey of tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate?
The InChIKey is SBTONWOJEAGHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-15(2,3)23-14(22)16-11-6-8-20(9-7-11)10-13-17-18-19-21(13)12-4-5-12/h11-12H,4-10H2,1-3H3,(H,16,22).
What are the key properties of tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1-cyclopropyltetrazol-5-yl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 60512817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).