tert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate

C17H30N4O3 — CID 95276518

IUPACtert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate
SMILESCc1nnc([C@@H](C)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C17H30N4O3/c1-12(15-19-18-13(2)23-15)21-9-7-8-14(11-21)10-20(6)16(22)24-17(3,4)5/h12,14H,7-11H2,1-6H3/t12-,14-/m1/s1
InChIKeyDEWYUEVPLPSZRW-TZMCWYRMSA-N
MW338.45 g/mol
LogP3.02
Rot. Bonds4

About tert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate

tert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate (PubChem CID 95276518) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate
PubChem CID95276518
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Nametert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate
SMILESCc1nnc([C@@H](C)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)o1
InChIInChI=1S/C17H30N4O3/c1-12(15-19-18-13(2)23-15)21-9-7-8-14(11-21)10-20(6)16(22)24-17(3,4)5/h12,14H,7-11H2,1-6H3/t12-,14-/m1/s1
InChIKeyDEWYUEVPLPSZRW-TZMCWYRMSA-N
XLogP3.02
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate (CID 95276518) is tert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate is Cc1nnc([C@@H](C)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)o1.
What is the InChIKey of tert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate?
The InChIKey is DEWYUEVPLPSZRW-TZMCWYRMSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-12(15-19-18-13(2)23-15)21-9-7-8-14(11-21)10-20(6)16(22)24-17(3,4)5/h12,14H,7-11H2,1-6H3/t12-,14-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate?
tert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate has a molecular weight of 338.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[[(3S)-1-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 95276518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).