N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C18H33N7O2 — CID 26412482

IUPACN-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(C)CCCN2CCOCC2)CC1
InChIInChI=1S/C18H33N7O2/c1-16-4-8-24(9-5-16)14-17-19-20-21-25(17)15-18(26)22(2)6-3-7-23-10-12-27-13-11-23/h16H,3-15H2,1-2H3
InChIKeyCHWVXNLJMKQLHZ-UHFFFAOYSA-N
MW379.51 g/mol
LogP0.09
Rot. Bonds8

About N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide

N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 26412482) has the molecular formula C18H33N7O2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID26412482
Molecular FormulaC18H33N7O2
Molecular Weight379.51 g/mol
Exact Mass379.27
IUPAC NameN-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(C)CCCN2CCOCC2)CC1
InChIInChI=1S/C18H33N7O2/c1-16-4-8-24(9-5-16)14-17-19-20-21-25(17)15-18(26)22(2)6-3-7-23-10-12-27-13-11-23/h16H,3-15H2,1-2H3
InChIKeyCHWVXNLJMKQLHZ-UHFFFAOYSA-N
XLogP0.09
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 26412482) is N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is CC1CCN(Cc2nnnn2CC(=O)N(C)CCCN2CCOCC2)CC1.
What is the InChIKey of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is CHWVXNLJMKQLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N7O2/c1-16-4-8-24(9-5-16)14-17-19-20-21-25(17)15-18(26)22(2)6-3-7-23-10-12-27-13-11-23/h16H,3-15H2,1-2H3.
What are the key properties of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 379.51 g/mol, XLogP of 0.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 26412482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).