tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane

C18H34N4O3 — CID 144571732

IUPACtert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane
SMILESC.CC.Cc1nn(C2CCCN(C(=O)OC(C)(C)C)C2)cc1C(N)=O
InChIInChI=1S/C15H24N4O3.C2H6.CH4/c1-10-12(13(16)20)9-19(17-10)11-6-5-7-18(8-11)14(21)22-15(2,3)4;1-2;/h9,11H,5-8H2,1-4H3,(H2,16,20);1-2H3;1H4
InChIKeySBNPQHZMVOFTCB-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.52
Rot. Bonds2

About tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane

tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane (PubChem CID 144571732) has the molecular formula C18H34N4O3 and a molecular weight of 354.50 g/mol. Its IUPAC name is tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane.

Molecular Properties

Compound Nametert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane
PubChem CID144571732
Molecular FormulaC18H34N4O3
Molecular Weight354.50 g/mol
Exact Mass354.26
IUPAC Nametert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane
SMILESC.CC.Cc1nn(C2CCCN(C(=O)OC(C)(C)C)C2)cc1C(N)=O
InChIInChI=1S/C15H24N4O3.C2H6.CH4/c1-10-12(13(16)20)9-19(17-10)11-6-5-7-18(8-11)14(21)22-15(2,3)4;1-2;/h9,11H,5-8H2,1-4H3,(H2,16,20);1-2H3;1H4
InChIKeySBNPQHZMVOFTCB-UHFFFAOYSA-N
XLogP3.52
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(4-bromotriazol-1-yl)piperidine-1-carboxylate
CID 172993540
tert-butyl 3-[4-(aziridine-1-carbonyl)triazol-1-yl]piperidine-1-carboxylate
CID 103954440
tert-butyl 4-(3-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
CID 177209110
tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
CID 170927522
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxylate
CID 171137586
tert-butyl 3-(5-bromoindazol-2-yl)piperidine-1-carboxylate
CID 175058391
tert-butyl (3R)-3-[4-[[5-carbamoyl-4-(cyclopropylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate
CID 155668460
tert-butyl 3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 138622116
tert-butyl (3S)-3-[(3S,4S)-3,4-dimethyl-2,5-dioxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 138622117
tert-butyl 3-(4-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 168698716
tert-butyl (3S)-3-(3-aminoazetidin-1-yl)piperidine-1-carboxylate
CID 86317604
tert-butyl 3-(4-bromo-3-propan-2-ylpyrazol-1-yl)pyrrolidine-1-carboxylate
CID 170987412

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane?
The IUPAC name of tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane (CID 144571732) is tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane.
What is the SMILES notation for tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane?
The canonical SMILES for tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane is C.CC.Cc1nn(C2CCCN(C(=O)OC(C)(C)C)C2)cc1C(N)=O.
What is the InChIKey of tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane?
The InChIKey is SBNPQHZMVOFTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3.C2H6.CH4/c1-10-12(13(16)20)9-19(17-10)11-6-5-7-18(8-11)14(21)22-15(2,3)4;1-2;/h9,11H,5-8H2,1-4H3,(H2,16,20);1-2H3;1H4.
What are the key properties of tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane?
tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane has a molecular weight of 354.50 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-carbamoyl-3-methylpyrazol-1-yl)piperidine-1-carboxylate;ethane;methane is sourced from PubChem (CID 144571732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).