N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide

C23H31N3O3 — CID 134808025

IUPACN-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCOc1cccc(Nc2cc(CN3CCC(C)(NC(C)=O)CC3)cc(OC)c2)c1
InChIInChI=1S/C23H31N3O3/c1-17(27)25-23(2)8-10-26(11-9-23)16-18-12-20(15-22(13-18)29-4)24-19-6-5-7-21(14-19)28-3/h5-7,12-15,24H,8-11,16H2,1-4H3,(H,25,27)
InChIKeyHBOOVPPBUYZDPN-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.94
Rot. Bonds7

About N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide

N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide (PubChem CID 134808025) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide
PubChem CID134808025
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC NameN-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide
SMILESCOc1cccc(Nc2cc(CN3CCC(C)(NC(C)=O)CC3)cc(OC)c2)c1
InChIInChI=1S/C23H31N3O3/c1-17(27)25-23(2)8-10-26(11-9-23)16-18-12-20(15-22(13-18)29-4)24-19-6-5-7-21(14-19)28-3/h5-7,12-15,24H,8-11,16H2,1-4H3,(H,25,27)
InChIKeyHBOOVPPBUYZDPN-UHFFFAOYSA-N
XLogP3.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide (CID 134808025) is N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide is COc1cccc(Nc2cc(CN3CCC(C)(NC(C)=O)CC3)cc(OC)c2)c1.
What is the InChIKey of N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide?
The InChIKey is HBOOVPPBUYZDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-17(27)25-23(2)8-10-26(11-9-23)16-18-12-20(15-22(13-18)29-4)24-19-6-5-7-21(14-19)28-3/h5-7,12-15,24H,8-11,16H2,1-4H3,(H,25,27).
What are the key properties of N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide?
N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-methoxy-5-(3-methoxyanilino)phenyl]methyl]-4-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 134808025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).