tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate

C18H30N4O2 — CID 99855102

IUPACtert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate
SMILESCc1cnc(C)c(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C18H30N4O2/c1-12-10-19-14(3)16(20-12)22-9-7-8-15(11-22)13(2)21-17(23)24-18(4,5)6/h10,13,15H,7-9,11H2,1-6H3,(H,21,23)/t13-,15-/m1/s1
InChIKeyOLHANEZNDQCDFU-UKRRQHHQSA-N
MW334.46 g/mol
LogP3.22
Rot. Bonds3

About tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate (PubChem CID 99855102) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate
PubChem CID99855102
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Nametert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate
SMILESCc1cnc(C)c(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C18H30N4O2/c1-12-10-19-14(3)16(20-12)22-9-7-8-15(11-22)13(2)21-17(23)24-18(4,5)6/h10,13,15H,7-9,11H2,1-6H3,(H,21,23)/t13-,15-/m1/s1
InChIKeyOLHANEZNDQCDFU-UKRRQHHQSA-N
XLogP3.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate (CID 99855102) is tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate is Cc1cnc(C)c(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate?
The InChIKey is OLHANEZNDQCDFU-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-12-10-19-14(3)16(20-12)22-9-7-8-15(11-22)13(2)21-17(23)24-18(4,5)6/h10,13,15H,7-9,11H2,1-6H3,(H,21,23)/t13-,15-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 99855102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).