4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide

C23H31N3O3 — CID 24818892

IUPAC4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccn2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C23H31N3O3/c1-17(2)26-13-10-20(11-14-26)29-22-15-18(8-9-21(22)28-4)23(27)25(3)16-19-7-5-6-12-24-19/h5-9,12,15,17,20H,10-11,13-14,16H2,1-4H3
InChIKeyCPSHDSRNSLIUIC-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.61
Rot. Bonds7

About 4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide

4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 24818892) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
PubChem CID24818892
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccccn2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C23H31N3O3/c1-17(2)26-13-10-20(11-14-26)29-22-15-18(8-9-21(22)28-4)23(27)25(3)16-19-7-5-6-12-24-19/h5-9,12,15,17,20H,10-11,13-14,16H2,1-4H3
InChIKeyCPSHDSRNSLIUIC-UHFFFAOYSA-N
XLogP3.61
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide (CID 24818892) is 4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide is COc1ccc(C(=O)N(C)Cc2ccccn2)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of 4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is CPSHDSRNSLIUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-17(2)26-13-10-20(11-14-26)29-22-15-18(8-9-21(22)28-4)23(27)25(3)16-19-7-5-6-12-24-19/h5-9,12,15,17,20H,10-11,13-14,16H2,1-4H3.
What are the key properties of 4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide?
4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 397.52 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 24818892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).