[1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid

C19H26N4O4 — CID 19962147

IUPAC[1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid
SMILESCOCCN1CCC(CN(C(=O)O)c2ccccc2-c2nc(C)no2)CC1
InChIInChI=1S/C19H26N4O4/c1-14-20-18(27-21-14)16-5-3-4-6-17(16)23(19(24)25)13-15-7-9-22(10-8-15)11-12-26-2/h3-6,15H,7-13H2,1-2H3,(H,24,25)
InChIKeyHDDCHMYDTMPTQA-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.89
Rot. Bonds7

About [1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid

[1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid (PubChem CID 19962147) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is [1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid
PubChem CID19962147
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name[1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid
SMILESCOCCN1CCC(CN(C(=O)O)c2ccccc2-c2nc(C)no2)CC1
InChIInChI=1S/C19H26N4O4/c1-14-20-18(27-21-14)16-5-3-4-6-17(16)23(19(24)25)13-15-7-9-22(10-8-15)11-12-26-2/h3-6,15H,7-13H2,1-2H3,(H,24,25)
InChIKeyHDDCHMYDTMPTQA-UHFFFAOYSA-N
XLogP2.89
TPSA91.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid?
The IUPAC name of [1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid (CID 19962147) is [1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid.
What is the SMILES notation for [1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid?
The canonical SMILES for [1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid is COCCN1CCC(CN(C(=O)O)c2ccccc2-c2nc(C)no2)CC1.
What is the InChIKey of [1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid?
The InChIKey is HDDCHMYDTMPTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-14-20-18(27-21-14)16-5-3-4-6-17(16)23(19(24)25)13-15-7-9-22(10-8-15)11-12-26-2/h3-6,15H,7-13H2,1-2H3,(H,24,25).
What are the key properties of [1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid?
[1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid has a molecular weight of 374.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)piperidin-4-yl]methyl-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamic acid is sourced from PubChem (CID 19962147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).