tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate

C23H41N5O3 — CID 90460972

IUPACtert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)Cc1cn(C2CCCCO2)nc1C1CCNCC1
InChIInChI=1S/C23H41N5O3/c1-23(2,3)31-22(29)27(5)14-13-26(4)16-19-17-28(20-8-6-7-15-30-20)25-21(19)18-9-11-24-12-10-18/h17-18,20,24H,6-16H2,1-5H3
InChIKeyACIUPAOSXZTUPX-UHFFFAOYSA-N
MW435.61 g/mol
LogP3.35
Rot. Bonds7

About tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate (PubChem CID 90460972) has the molecular formula C23H41N5O3 and a molecular weight of 435.61 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate
PubChem CID90460972
Molecular FormulaC23H41N5O3
Molecular Weight435.61 g/mol
Exact Mass435.32
IUPAC Nametert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate
SMILESCN(CCN(C)C(=O)OC(C)(C)C)Cc1cn(C2CCCCO2)nc1C1CCNCC1
InChIInChI=1S/C23H41N5O3/c1-23(2,3)31-22(29)27(5)14-13-26(4)16-19-17-28(20-8-6-7-15-30-20)25-21(19)18-9-11-24-12-10-18/h17-18,20,24H,6-16H2,1-5H3
InChIKeyACIUPAOSXZTUPX-UHFFFAOYSA-N
XLogP3.35
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate 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

Ethyl 4-[[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308852
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[[3-(1-acetylpiperidin-4-yl)-1-methylpyrazol-4-yl]methyl]piperazine-1-carboxylate
CID 155526799
tert-butyl 2-[2-oxo-2-(propylamino)ethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 126837311
tert-butyl N-[2-[[3-[(E)-2-(4-fluorophenyl)ethenyl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]carbamate
CID 117610420
tert-butyl N-[2-[[3-[2-(4-fluorophenyl)ethenyl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]carbamate
CID 123354386
methyl N-[2-[2-[3-[4,4-bis(fluoromethyl)cyclohexen-1-yl]-1-(oxan-2-yl)pyrazol-4-yl]ethylamino]ethyl]-N-tert-butylcarbamate
CID 140813872
Tert-butyl 4-[1-(2-fluoroethyl)-4-methylpyrazol-5-yl]piperidine-1-carboxylate
CID 178549543
ethyl N-[3-[3-methyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]carbamate
CID 101513377
tert-butyl N-[2-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-fluoroethylamino)propyl]carbamate
CID 154764666
Ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 46261615
tert-butyl 4-[4-ethyl-1-(oxan-2-yl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58486612
1,1-Dimethylethyl 2-(4-piperidinyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine-6(2H)-carboxylate
CID 66930855

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate (CID 90460972) is tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate is CN(CCN(C)C(=O)OC(C)(C)C)Cc1cn(C2CCCCO2)nc1C1CCNCC1.
What is the InChIKey of tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate?
The InChIKey is ACIUPAOSXZTUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N5O3/c1-23(2,3)31-22(29)27(5)14-13-26(4)16-19-17-28(20-8-6-7-15-30-20)25-21(19)18-9-11-24-12-10-18/h17-18,20,24H,6-16H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate has a molecular weight of 435.61 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate is sourced from PubChem (CID 90460972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).