4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C21H30N4O3 — CID 24791112

IUPAC4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCc2cnn(C)c2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C21H30N4O3/c1-15(2)25-9-7-18(8-10-25)28-20-11-17(5-6-19(20)27-4)21(26)22-12-16-13-23-24(3)14-16/h5-6,11,13-15,18H,7-10,12H2,1-4H3,(H,22,26)
InChIKeyNEXYZRZQLHVMLV-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.61
Rot. Bonds7

About 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 24791112) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID24791112
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCc2cnn(C)c2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C21H30N4O3/c1-15(2)25-9-7-18(8-10-25)28-20-11-17(5-6-19(20)27-4)21(26)22-12-16-13-23-24(3)14-16/h5-6,11,13-15,18H,7-10,12H2,1-4H3,(H,22,26)
InChIKeyNEXYZRZQLHVMLV-UHFFFAOYSA-N
XLogP2.61
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 24791112) is 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is COc1ccc(C(=O)NCc2cnn(C)c2)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is NEXYZRZQLHVMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-15(2)25-9-7-18(8-10-25)28-20-11-17(5-6-19(20)27-4)21(26)22-12-16-13-23-24(3)14-16/h5-6,11,13-15,18H,7-10,12H2,1-4H3,(H,22,26).
What are the key properties of 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 386.50 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 24791112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).