tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate

C17H30N4O2 — CID 71853187

IUPACtert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1CCCN(CCn2cccn2)C1
InChIInChI=1S/C17H30N4O2/c1-14(19-16(22)23-17(2,3)4)15-7-5-9-20(13-15)11-12-21-10-6-8-18-21/h6,8,10,14-15H,5,7,9,11-13H2,1-4H3,(H,19,22)
InChIKeyLVBPGRBWYUDDDR-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.51
Rot. Bonds5

About tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate

tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate (PubChem CID 71853187) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate
PubChem CID71853187
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1CCCN(CCn2cccn2)C1
InChIInChI=1S/C17H30N4O2/c1-14(19-16(22)23-17(2,3)4)15-7-5-9-20(13-15)11-12-21-10-6-8-18-21/h6,8,10,14-15H,5,7,9,11-13H2,1-4H3,(H,19,22)
InChIKeyLVBPGRBWYUDDDR-UHFFFAOYSA-N
XLogP2.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(4-amino-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 27281520
tert-Butyl 4-[2-(1H-pyrazol-1-yl)ethyl]piperazine-1-carboxylate
CID 52903976
US10030012, Example 29
CID 78318935
tert-butyl N-(2-pyrazol-1-ylethyl)carbamate
CID 65143092
1-[4-[(1-Pyrazol-1-ylpropan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 53560969
1-(3,5-Dimethylpiperidin-1-yl)-2-(2-pyrazol-1-ylethylamino)ethanone
CID 72140755
Tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate
CID 75473183
Methyl 4-(4-pyrazol-1-ylbutan-2-ylamino)piperidine-1-carboxylate
CID 86784762
tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate
CID 99831339
Tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate
CID 126818100
tert-butyl N-[3-methyl-5-(2-pyrazol-1-ylethylamino)hexyl]carbamate
CID 132318093
Tert-butyl 4-[(1-methylpyrazol-4-yl)amino]-2-(trifluoromethyl)piperidine-1-carboxylate
CID 150374842

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate (CID 71853187) is tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate is CC(NC(=O)OC(C)(C)C)C1CCCN(CCn2cccn2)C1.
What is the InChIKey of tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate?
The InChIKey is LVBPGRBWYUDDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-14(19-16(22)23-17(2,3)4)15-7-5-9-20(13-15)11-12-21-10-6-8-18-21/h6,8,10,14-15H,5,7,9,11-13H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate?
tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.51, 5 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-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 71853187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).