tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate

C21H34N4O3 — CID 55869656

IUPACtert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)CC1
InChIInChI=1S/C21H34N4O3/c1-20(2,3)25-17(13-16(23-25)14-7-8-14)18(26)24-11-9-15(10-12-24)22-19(27)28-21(4,5)6/h13-15H,7-12H2,1-6H3,(H,22,27)
InChIKeyDRWNIYFGFFFZTF-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.64
Rot. Bonds3

About tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate (PubChem CID 55869656) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate
PubChem CID55869656
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Nametert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)CC1
InChIInChI=1S/C21H34N4O3/c1-20(2,3)25-17(13-16(23-25)14-7-8-14)18(26)24-11-9-15(10-12-24)22-19(27)28-21(4,5)6/h13-15H,7-12H2,1-6H3,(H,22,27)
InChIKeyDRWNIYFGFFFZTF-UHFFFAOYSA-N
XLogP3.64
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
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tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
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tert-butyl N-[1-(5-bromothiophene-2-carbonyl)piperidin-4-yl]carbamate
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tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
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tert-butyl N-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]carbamate
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tert-butyl N-[1-(4-methyl-3-nitrobenzoyl)piperidin-4-yl]carbamate
CID 55736035
tert-butyl N-[1-(2-fluoro-4-hydroxy-5-methylbenzoyl)piperidin-4-yl]carbamate
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tert-butyl N-[4-(5-trimethylsilyl-1,2-oxazol-3-yl)cyclohexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate (CID 55869656) is tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is DRWNIYFGFFFZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-20(2,3)25-17(13-16(23-25)14-7-8-14)18(26)24-11-9-15(10-12-24)22-19(27)28-21(4,5)6/h13-15H,7-12H2,1-6H3,(H,22,27).
What are the key properties of tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 390.53 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 55869656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).