tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate

C20H29N5O3S — CID 60512697

IUPACtert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2ccnn2Cc2cccs2)CC1
InChIInChI=1S/C20H29N5O3S/c1-20(2,3)28-19(27)22-15-7-10-24(11-8-15)14-18(26)23-17-6-9-21-25(17)13-16-5-4-12-29-16/h4-6,9,12,15H,7-8,10-11,13-14H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyQHJKSPQCWXSPMV-UHFFFAOYSA-N
MW419.55 g/mol
LogP2.92
Rot. Bonds6

About tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate (PubChem CID 60512697) has the molecular formula C20H29N5O3S and a molecular weight of 419.55 g/mol. Its IUPAC name is tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate
PubChem CID60512697
Molecular FormulaC20H29N5O3S
Molecular Weight419.55 g/mol
Exact Mass419.20
IUPAC Nametert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2ccnn2Cc2cccs2)CC1
InChIInChI=1S/C20H29N5O3S/c1-20(2,3)28-19(27)22-15-7-10-24(11-8-15)14-18(26)23-17-6-9-21-25(17)13-16-5-4-12-29-16/h4-6,9,12,15H,7-8,10-11,13-14H2,1-3H3,(H,22,27)(H,23,26)
InChIKeyQHJKSPQCWXSPMV-UHFFFAOYSA-N
XLogP2.92
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

(3S)-1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]pyrrolidine-3-carboxamide
CID 94163023
tert-butyl N-[1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]carbamate
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2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 87015681
tert-butyl N-[1-[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 166226334
tert-butyl N-[1-[2-oxo-2-(2,3,5,6-tetrachloroanilino)ethyl]piperidin-4-yl]carbamate
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methyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetyl]amino]benzoate
CID 90085065
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CID 8911676
tert-butyl N-[1-[2-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate
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tert-butyl N-[1-[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]piperidin-4-yl]carbamate
CID 60512994
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
tert-butyl N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771205

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate (CID 60512697) is tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CC(=O)Nc2ccnn2Cc2cccs2)CC1.
What is the InChIKey of tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate?
The InChIKey is QHJKSPQCWXSPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3S/c1-20(2,3)28-19(27)22-15-7-10-24(11-8-15)14-18(26)23-17-6-9-21-25(17)13-16-5-4-12-29-16/h4-6,9,12,15H,7-8,10-11,13-14H2,1-3H3,(H,22,27)(H,23,26).
What are the key properties of tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate has a molecular weight of 419.55 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-oxo-2-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 60512697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).