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

C17H30N6O2 — CID 24793941

IUPACN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(C)C2CCOC2)CC1
InChIInChI=1S/C17H30N6O2/c1-14-5-9-22(10-6-14)12-16-18-19-20-23(16)8-3-4-17(24)21(2)15-7-11-25-13-15/h14-15H,3-13H2,1-2H3
InChIKeyFKRHGYJNNVNZOS-UHFFFAOYSA-N
MW350.47 g/mol
LogP0.93
Rot. Bonds7

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

N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide (PubChem CID 24793941) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide.

Molecular Properties

Compound NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide
PubChem CID24793941
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC NameN-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide
SMILESCC1CCN(Cc2nnnn2CCCC(=O)N(C)C2CCOC2)CC1
InChIInChI=1S/C17H30N6O2/c1-14-5-9-22(10-6-14)12-16-18-19-20-23(16)8-3-4-17(24)21(2)15-7-11-25-13-15/h14-15H,3-13H2,1-2H3
InChIKeyFKRHGYJNNVNZOS-UHFFFAOYSA-N
XLogP0.93
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide?
The IUPAC name of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide (CID 24793941) is N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide.
What is the SMILES notation for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide?
The canonical SMILES for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide is CC1CCN(Cc2nnnn2CCCC(=O)N(C)C2CCOC2)CC1.
What is the InChIKey of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide?
The InChIKey is FKRHGYJNNVNZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-14-5-9-22(10-6-14)12-16-18-19-20-23(16)8-3-4-17(24)21(2)15-7-11-25-13-15/h14-15H,3-13H2,1-2H3.
What are the key properties of N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide?
N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide has a molecular weight of 350.47 g/mol, XLogP of 0.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide is sourced from PubChem (CID 24793941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).