methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid

C19H33N5O3 — CID 90461421

IUPACmethyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid
SMILESCN(CCN(C)C(=O)O)Cc1cn(C2CCCCO2)nc1C1CCNCC1
InChIInChI=1S/C19H33N5O3/c1-22(10-11-23(2)19(25)26)13-16-14-24(17-5-3-4-12-27-17)21-18(16)15-6-8-20-9-7-15/h14-15,17,20H,3-13H2,1-2H3,(H,25,26)
InChIKeyRMXDIMYRDSFBJY-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.09
Rot. Bonds7

About methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid

methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid (PubChem CID 90461421) has the molecular formula C19H33N5O3 and a molecular weight of 379.51 g/mol. Its IUPAC name is methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid
PubChem CID90461421
Molecular FormulaC19H33N5O3
Molecular Weight379.51 g/mol
Exact Mass379.26
IUPAC Namemethyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid
SMILESCN(CCN(C)C(=O)O)Cc1cn(C2CCCCO2)nc1C1CCNCC1
InChIInChI=1S/C19H33N5O3/c1-22(10-11-23(2)19(25)26)13-16-14-24(17-5-3-4-12-27-17)21-18(16)15-6-8-20-9-7-15/h14-15,17,20H,3-13H2,1-2H3,(H,25,26)
InChIKeyRMXDIMYRDSFBJY-UHFFFAOYSA-N
XLogP2.09
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-[[2-(4,5,6,7-tetrahydroindazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308852
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
ethyl N-[3-[3-methyl-1-(2-methylpropyl)pyrazol-4-yl]propyl]carbamate
CID 101513377
ethyl N-[3-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]propyl]carbamate
CID 101513378
Ethyl 4-[[2-(4,5,6,7,8,9-hexahydrocycloocta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 46261615
2-[[3-(3,3-Dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-methylpyrazol-4-yl]methyl-methylamino]propylcarbamic acid
CID 90460260
Methyl-[2-[methyl-[[3-[1-(2-methylpropyl)piperidin-4-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid
CID 90460490
Methyl-[2-[methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]ethyl]carbamic acid
CID 90460893
2-[Methyl-[[1-(oxan-2-yl)-3-(4-oxocyclohexyl)pyrazol-4-yl]methyl]amino]propylcarbamic acid
CID 90460897
2-[[3-(3,3-Dimethyl-1-oxaspiro[4.5]decan-8-yl)-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl-methylcarbamic acid
CID 90460959
tert-butyl N-methyl-N-[2-[methyl-[[1-[(2R)-oxan-2-yl]-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamate
CID 90460971
(R/S) tert-butyl methyl(2-(methyl((3-(piperidin-4-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)methyl)amino)ethyl)carbamate
CID 90460972

Frequently Asked Questions

What is the IUPAC name of methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid?
The IUPAC name of methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid (CID 90461421) is methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid.
What is the SMILES notation for methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid?
The canonical SMILES for methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid is CN(CCN(C)C(=O)O)Cc1cn(C2CCCCO2)nc1C1CCNCC1.
What is the InChIKey of methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid?
The InChIKey is RMXDIMYRDSFBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O3/c1-22(10-11-23(2)19(25)26)13-16-14-24(17-5-3-4-12-27-17)21-18(16)15-6-8-20-9-7-15/h14-15,17,20H,3-13H2,1-2H3,(H,25,26).
What are the key properties of methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid?
methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid has a molecular weight of 379.51 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[methyl-[[1-(oxan-2-yl)-3-piperidin-4-ylpyrazol-4-yl]methyl]amino]ethyl]carbamic acid is sourced from PubChem (CID 90461421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).