tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane

C16H29N3O2 — CID 145071420

IUPACtert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC(Cc2cn[nH]c2)CC1
InChIInChI=1S/C14H23N3O2.C2H6/c1-14(2,3)19-13(18)17-6-4-11(5-7-17)8-12-9-15-16-10-12;1-2/h9-11H,4-8H2,1-3H3,(H,15,16);1-2H3
InChIKeyPHWADAMSKITNPJ-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.63
Rot. Bonds2

About tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane

tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane (PubChem CID 145071420) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane
PubChem CID145071420
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Nametert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC(Cc2cn[nH]c2)CC1
InChIInChI=1S/C14H23N3O2.C2H6/c1-14(2,3)19-13(18)17-6-4-11(5-7-17)8-12-9-15-16-10-12;1-2/h9-11H,4-8H2,1-3H3,(H,15,16);1-2H3
InChIKeyPHWADAMSKITNPJ-UHFFFAOYSA-N
XLogP3.63
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

t-Butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287
4-(methoxymethyl)-1-[3-(1H-pyrazol-4-yl)propyl]piperidine
CID 71869030
tert-butyl 4-(5-fluoro-1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 178534229
tert-butyl 4,4-difluoro-3-(2-methyl-1H-pyrazol-2-ium-4-yl)piperidine-1-carboxylate
CID 178926812
3-Ethyl-4-(N-t-butoxycarbonylpiperid-4-yl)-1H-pyrazole
CID 18187657
tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 54138196
tert-butyl 3-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 67996186
tert-Butyl 4-(3-amino-1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 68328265
tert-butyl 4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 83404840
tert-butyl (2S)-2-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 96084996
tert-butyl 4-(1H-pyrazol-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 117607384
Tert-butyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-4-yl]methyl]piperidine-1-carboxylate
CID 121305399

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane (CID 145071420) is tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCC(Cc2cn[nH]c2)CC1.
What is the InChIKey of tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane?
The InChIKey is PHWADAMSKITNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.C2H6/c1-14(2,3)19-13(18)17-6-4-11(5-7-17)8-12-9-15-16-10-12;1-2/h9-11H,4-8H2,1-3H3,(H,15,16);1-2H3.
What are the key properties of tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane?
tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane has a molecular weight of 295.43 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 145071420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).