N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide

C19H32N4O3 — CID 72857943

IUPACN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C19H32N4O3/c1-21-13-16(12-20-21)14-23(8-11-25-2)19(24)17-4-3-7-22(15-17)18-5-9-26-10-6-18/h12-13,17-18H,3-11,14-15H2,1-2H3
InChIKeyREQQGJAPENWHQC-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.29
Rot. Bonds7

About N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide

N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide (PubChem CID 72857943) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
PubChem CID72857943
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C19H32N4O3/c1-21-13-16(12-20-21)14-23(8-11-25-2)19(24)17-4-3-7-22(15-17)18-5-9-26-10-6-18/h12-13,17-18H,3-11,14-15H2,1-2H3
InChIKeyREQQGJAPENWHQC-UHFFFAOYSA-N
XLogP1.29
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide (CID 72857943) is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide is COCCN(Cc1cnn(C)c1)C(=O)C1CCCN(C2CCOCC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
The InChIKey is REQQGJAPENWHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-21-13-16(12-20-21)14-23(8-11-25-2)19(24)17-4-3-7-22(15-17)18-5-9-26-10-6-18/h12-13,17-18H,3-11,14-15H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide?
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 72857943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).