tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate

C16H24N4O3 — CID 94824268

IUPACtert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)19-9-12-5-4-8-20(11-12)14(21)13-10-17-6-7-18-13/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyVSYNHWKVSAIWIE-LBPRGKRZSA-N
MW320.39 g/mol
LogP1.85
Rot. Bonds3

About tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate

tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate (PubChem CID 94824268) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
PubChem CID94824268
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Nametert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)19-9-12-5-4-8-20(11-12)14(21)13-10-17-6-7-18-13/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKeyVSYNHWKVSAIWIE-LBPRGKRZSA-N
XLogP1.85
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]carbamate
CID 71632480
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
tert-butyl N-propan-2-yl-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 55826786
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 141463922
tert-butyl N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]carbamate
CID 97007691
4-fluoro-3-methoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 131912931
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
tert-butyl N-[(1-pyridin-4-ylpiperidin-3-yl)methyl]carbamate
CID 66805430
tert-butyl (3S)-3-[(pyrazin-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 97171199
tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate
CID 52761217

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate (CID 94824268) is tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate?
The InChIKey is VSYNHWKVSAIWIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-16(2,3)23-15(22)19-9-12-5-4-8-20(11-12)14(21)13-10-17-6-7-18-13/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,22)/t12-/m0/s1.
What are the key properties of tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate?
tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 94824268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).