2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide

C21H34N4O2 — CID 72928763

IUPAC2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1ccncc1)CC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C21H34N4O2/c1-23-11-7-20(8-12-23)24-13-5-19(6-14-24)16-25(21(26)17-27-2)15-18-3-9-22-10-4-18/h3-4,9-10,19-20H,5-8,11-17H2,1-2H3
InChIKeyRMXDERRFLUGMTD-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.86
Rot. Bonds7

About 2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide

2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 72928763) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID72928763
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
SMILESCOCC(=O)N(Cc1ccncc1)CC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C21H34N4O2/c1-23-11-7-20(8-12-23)24-13-5-19(6-14-24)16-25(21(26)17-27-2)15-18-3-9-22-10-4-18/h3-4,9-10,19-20H,5-8,11-17H2,1-2H3
InChIKeyRMXDERRFLUGMTD-UHFFFAOYSA-N
XLogP1.86
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide (CID 72928763) is 2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide is COCC(=O)N(Cc1ccncc1)CC1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is RMXDERRFLUGMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-23-11-7-20(8-12-23)24-13-5-19(6-14-24)16-25(21(26)17-27-2)15-18-3-9-22-10-4-18/h3-4,9-10,19-20H,5-8,11-17H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide?
2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 374.53 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 72928763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).