tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate

C16H24N4O4 — CID 129471736

IUPACtert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate
SMILESCn1ccnc(NC(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c1=O
InChIInChI=1S/C16H24N4O4/c1-16(2,3)24-14(22)11-6-5-8-20(10-11)15(23)18-12-13(21)19(4)9-7-17-12/h7,9,11H,5-6,8,10H2,1-4H3,(H,17,18,23)/t11-/m0/s1
InChIKeyZPGCQQTUXWDQES-NSHDSACASA-N
MW336.39 g/mol
LogP1.37
Rot. Bonds2

About tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate

tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate (PubChem CID 129471736) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate
PubChem CID129471736
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Nametert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate
SMILESCn1ccnc(NC(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c1=O
InChIInChI=1S/C16H24N4O4/c1-16(2,3)24-14(22)11-6-5-8-20(10-11)15(23)18-12-13(21)19(4)9-7-17-12/h7,9,11H,5-6,8,10H2,1-4H3,(H,17,18,23)/t11-/m0/s1
InChIKeyZPGCQQTUXWDQES-NSHDSACASA-N
XLogP1.37
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
CID 129380197
tert-butyl (3S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]piperidine-3-carboxylate
CID 129380196
tert-butyl (3S)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 97309183
tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733
tert-butyl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate
CID 102216136
(4-methyl-3-oxopyrazin-2-yl)urea
CID 130723706
tert-butyl 1-[3-(trifluoromethyl)pyridine-2-carbonyl]piperidine-3-carboxylate
CID 91648435
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
CID 62939564
3-[(4-methyl-3-oxopyrazin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 63042240
tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554290
tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate
CID 165486896

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate?
The IUPAC name of tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate (CID 129471736) is tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate?
The canonical SMILES for tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate is Cn1ccnc(NC(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c1=O.
What is the InChIKey of tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate?
The InChIKey is ZPGCQQTUXWDQES-NSHDSACASA-N. The full InChI is InChI=1S/C16H24N4O4/c1-16(2,3)24-14(22)11-6-5-8-20(10-11)15(23)18-12-13(21)19(4)9-7-17-12/h7,9,11H,5-6,8,10H2,1-4H3,(H,17,18,23)/t11-/m0/s1.
What are the key properties of tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate?
tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-1-[(4-methyl-3-oxopyrazin-2-yl)carbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 129471736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).