N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide

C18H30N8O — CID 42289435

IUPACN-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(Cc2nccn2C)C(C)C)CC1
InChIInChI=1S/C18H30N8O/c1-14(2)25(12-16-19-7-10-23(16)4)18(27)13-26-17(20-21-22-26)11-24-8-5-15(3)6-9-24/h7,10,14-15H,5-6,8-9,11-13H2,1-4H3
InChIKeyLSTLMAWIBVGQKG-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.08
Rot. Bonds7

About N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide

N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 42289435) has the molecular formula C18H30N8O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide
PubChem CID42289435
Molecular FormulaC18H30N8O
Molecular Weight374.49 g/mol
Exact Mass374.25
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)N(Cc2nccn2C)C(C)C)CC1
InChIInChI=1S/C18H30N8O/c1-14(2)25(12-16-19-7-10-23(16)4)18(27)13-26-17(20-21-22-26)11-24-8-5-15(3)6-9-24/h7,10,14-15H,5-6,8-9,11-13H2,1-4H3
InChIKeyLSTLMAWIBVGQKG-UHFFFAOYSA-N
XLogP1.08
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53559979
1-(2-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 56724045
1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
methyl 4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 70738536
4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]piperidine
CID 70765708
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 71931806
2-[Cyclopropyl(methyl)amino]-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 72141972
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72142705
3-Imidazol-1-yl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 72142974
4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine
CID 72871457
4-(1-isopropyl-1H-imidazol-2-yl)-1-(1-pyrrolidinylcarbonyl)piperidine
CID 72889477
4-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-[(1-methylcyclopropyl)carbonyl]piperidine
CID 72899496

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide (CID 42289435) is N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide is CC1CCN(Cc2nnnn2CC(=O)N(Cc2nccn2C)C(C)C)CC1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is LSTLMAWIBVGQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N8O/c1-14(2)25(12-16-19-7-10-23(16)4)18(27)13-26-17(20-21-22-26)11-24-8-5-15(3)6-9-24/h7,10,14-15H,5-6,8-9,11-13H2,1-4H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide?
N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 374.49 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 42289435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).