tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate

C17H29N3O3 — CID 103916056

IUPACtert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate
SMILESCCC1(OCc2cnn(C)c2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H29N3O3/c1-6-17(22-13-14-11-18-19(5)12-14)7-9-20(10-8-17)15(21)23-16(2,3)4/h11-12H,6-10,13H2,1-5H3
InChIKeyLRNFQNKHMIBSCR-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.12
Rot. Bonds4

About tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate

tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate (PubChem CID 103916056) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate
PubChem CID103916056
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nametert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate
SMILESCCC1(OCc2cnn(C)c2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H29N3O3/c1-6-17(22-13-14-11-18-19(5)12-14)7-9-20(10-8-17)15(21)23-16(2,3)4/h11-12H,6-10,13H2,1-5H3
InChIKeyLRNFQNKHMIBSCR-UHFFFAOYSA-N
XLogP3.12
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-methyl-3-[(1-methylpyrazol-4-yl)methoxy]pyrrolidine-1-carboxylate
CID 83206642
tert-butyl 4-ethyl-4-[(1-methylimidazol-2-yl)methoxy]piperidine-1-carboxylate
CID 106938775
tert-butyl 4-ethyl-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]piperidine-1-carboxylate
CID 103916065
tert-butyl 4-ethyl-4-(2-pyrazol-1-ylethoxy)piperidine-1-carboxylate
CID 103916074
tert-butyl 4-[(5-bromofuran-2-yl)methoxy]-4-ethylpiperidine-1-carboxylate
CID 103916047
tert-butyl 4-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]piperidine-1-carboxylate
CID 103939659
tert-butyl 3-ethyl-3-[(3-methylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 103916082
tert-butyl 4-(iodomethyl)-4-phenylmethoxypiperidine-1-carboxylate
CID 104969586
tert-butyl 4-[2-(1-methylpyrazol-4-yl)ethylamino]piperidine-1-carboxylate
CID 103729464
tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate
CID 103916009
tert-butyl 4-[(2-chloro-6-fluorophenyl)methoxy]-4-ethylpiperidine-1-carboxylate
CID 113351223
tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate
CID 103916041

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate (CID 103916056) is tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate is CCC1(OCc2cnn(C)c2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate?
The InChIKey is LRNFQNKHMIBSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-6-17(22-13-14-11-18-19(5)12-14)7-9-20(10-8-17)15(21)23-16(2,3)4/h11-12H,6-10,13H2,1-5H3.
What are the key properties of tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate?
tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate has a molecular weight of 323.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethyl-4-[(1-methylpyrazol-4-yl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 103916056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).