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

C15H26N6O2 — CID 45178554

IUPACN-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(C)C2CCOC2)CC1
InChIInChI=1S/C15H26N6O2/c1-12-3-6-20(7-4-12)9-14-16-17-18-21(14)10-15(22)19(2)13-5-8-23-11-13/h12-13H,3-11H2,1-2H3
InChIKeySEVCHLHGWVJKIO-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.15
Rot. Bonds5

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

N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)acetamide (PubChem CID 45178554) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)acetamide
PubChem CID45178554
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC NameN-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(C)C2CCOC2)CC1
InChIInChI=1S/C15H26N6O2/c1-12-3-6-20(7-4-12)9-14-16-17-18-21(14)10-15(22)19(2)13-5-8-23-11-13/h12-13H,3-11H2,1-2H3
InChIKeySEVCHLHGWVJKIO-UHFFFAOYSA-N
XLogP0.15
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-(oxolan-3-yl)acetamide?
The IUPAC name of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)acetamide (CID 45178554) is N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)acetamide.
What is the SMILES notation for N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)acetamide?
The canonical SMILES for N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)acetamide is CC1CCN(Cc2nnnn2CC(=O)N(C)C2CCOC2)CC1.
What is the InChIKey of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)acetamide?
The InChIKey is SEVCHLHGWVJKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-12-3-6-20(7-4-12)9-14-16-17-18-21(14)10-15(22)19(2)13-5-8-23-11-13/h12-13H,3-11H2,1-2H3.
What are the key properties of N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)acetamide?
N-methyl-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 0.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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-(oxolan-3-yl)acetamide is sourced from PubChem (CID 45178554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).