N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C22H32N4O3 — CID 24793427

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCc2cnn(C)c2C)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C22H32N4O3/c1-15(2)26-10-8-19(9-11-26)29-21-12-17(6-7-20(21)28-5)22(27)23-13-18-14-24-25(4)16(18)3/h6-7,12,14-15,19H,8-11,13H2,1-5H3,(H,23,27)
InChIKeyRXWXOMFJRAEDCG-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.92
Rot. Bonds7

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 24793427) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID24793427
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)NCc2cnn(C)c2C)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C22H32N4O3/c1-15(2)26-10-8-19(9-11-26)29-21-12-17(6-7-20(21)28-5)22(27)23-13-18-14-24-25(4)16(18)3/h6-7,12,14-15,19H,8-11,13H2,1-5H3,(H,23,27)
InChIKeyRXWXOMFJRAEDCG-UHFFFAOYSA-N
XLogP2.92
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 24793427) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is COc1ccc(C(=O)NCc2cnn(C)c2C)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is RXWXOMFJRAEDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-15(2)26-10-8-19(9-11-26)29-21-12-17(6-7-20(21)28-5)22(27)23-13-18-14-24-25(4)16(18)3/h6-7,12,14-15,19H,8-11,13H2,1-5H3,(H,23,27).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 400.52 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 24793427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).