2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine

C25H40N4O2 — CID 28953415

IUPAC2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1ncc(CN(CCOC)CC2CCN(Cc3ccccc3OC)CC2)c1C
InChIInChI=1S/C25H40N4O2/c1-5-12-29-21(2)24(17-26-29)20-28(15-16-30-3)18-22-10-13-27(14-11-22)19-23-8-6-7-9-25(23)31-4/h6-9,17,22H,5,10-16,18-20H2,1-4H3
InChIKeyJQCRGRZONSLYCZ-UHFFFAOYSA-N
MW428.62 g/mol
LogP3.97
Rot. Bonds12

About 2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine

2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine (PubChem CID 28953415) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
PubChem CID28953415
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC Name2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
SMILESCCCn1ncc(CN(CCOC)CC2CCN(Cc3ccccc3OC)CC2)c1C
InChIInChI=1S/C25H40N4O2/c1-5-12-29-21(2)24(17-26-29)20-28(15-16-30-3)18-22-10-13-27(14-11-22)19-23-8-6-7-9-25(23)31-4/h6-9,17,22H,5,10-16,18-20H2,1-4H3
InChIKeyJQCRGRZONSLYCZ-UHFFFAOYSA-N
XLogP3.97
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine (CID 28953415) is 2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine is CCCn1ncc(CN(CCOC)CC2CCN(Cc3ccccc3OC)CC2)c1C.
What is the InChIKey of 2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is JQCRGRZONSLYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-5-12-29-21(2)24(17-26-29)20-28(15-16-30-3)18-22-10-13-27(14-11-22)19-23-8-6-7-9-25(23)31-4/h6-9,17,22H,5,10-16,18-20H2,1-4H3.
What are the key properties of 2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine?
2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 428.62 g/mol, XLogP of 3.97, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 28953415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).