N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

C16H26N8O — CID 42286536

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCc1cnc(CN(C)C(=O)Cn2nnnc2CN2CCC(C)CC2)[nH]1
InChIInChI=1S/C16H26N8O/c1-12-4-6-23(7-5-12)10-15-19-20-21-24(15)11-16(25)22(3)9-14-17-8-13(2)18-14/h8,12H,4-7,9-11H2,1-3H3,(H,17,18)
InChIKeySQXLKJOONSVEJN-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.60
Rot. Bonds6

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

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (PubChem CID 42286536) has the molecular formula C16H26N8O and a molecular weight of 346.44 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
PubChem CID42286536
Molecular FormulaC16H26N8O
Molecular Weight346.44 g/mol
Exact Mass346.22
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCc1cnc(CN(C)C(=O)Cn2nnnc2CN2CCC(C)CC2)[nH]1
InChIInChI=1S/C16H26N8O/c1-12-4-6-23(7-5-12)10-15-19-20-21-24(15)11-16(25)22(3)9-14-17-8-13(2)18-14/h8,12H,4-7,9-11H2,1-3H3,(H,17,18)
InChIKeySQXLKJOONSVEJN-UHFFFAOYSA-N
XLogP0.60
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (CID 42286536) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is Cc1cnc(CN(C)C(=O)Cn2nnnc2CN2CCC(C)CC2)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The InChIKey is SQXLKJOONSVEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N8O/c1-12-4-6-23(7-5-12)10-15-19-20-21-24(15)11-16(25)22(3)9-14-17-8-13(2)18-14/h8,12H,4-7,9-11H2,1-3H3,(H,17,18).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 42286536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).