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

C22H32N4O3 — CID 42287393

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCCn1cc(CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)cn1
InChIInChI=1S/C22H32N4O3/c1-5-26-15-17(14-24-26)13-23-22(27)18-6-7-20(28-4)21(12-18)29-19-8-10-25(11-9-19)16(2)3/h6-7,12,14-16,19H,5,8-11,13H2,1-4H3,(H,23,27)
InChIKeyPBAYHIJDQJDJQT-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.09
Rot. Bonds8

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

N-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 42287393) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID42287393
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCCn1cc(CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)cn1
InChIInChI=1S/C22H32N4O3/c1-5-26-15-17(14-24-26)13-23-22(27)18-6-7-20(28-4)21(12-18)29-19-8-10-25(11-9-19)16(2)3/h6-7,12,14-16,19H,5,8-11,13H2,1-4H3,(H,23,27)
InChIKeyPBAYHIJDQJDJQT-UHFFFAOYSA-N
XLogP3.09
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 42287393) is N-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is CCn1cc(CNC(=O)c2ccc(OC)c(OC3CCN(C(C)C)CC3)c2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is PBAYHIJDQJDJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-5-26-15-17(14-24-26)13-23-22(27)18-6-7-20(28-4)21(12-18)29-19-8-10-25(11-9-19)16(2)3/h6-7,12,14-16,19H,5,8-11,13H2,1-4H3,(H,23,27).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
N-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 400.52 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 42287393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).