3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine

C20H29N5O — CID 91764234

IUPAC3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOc1ccccc1C1CCN(Cc2nnc(C3CC(N)C3)n2C)CC1
InChIInChI=1S/C20H29N5O/c1-24-19(22-23-20(24)15-11-16(21)12-15)13-25-9-7-14(8-10-25)17-5-3-4-6-18(17)26-2/h3-6,14-16H,7-13,21H2,1-2H3
InChIKeyLWZOFEIFDCJUBM-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.41
Rot. Bonds5

About 3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine

3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine (PubChem CID 91764234) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
PubChem CID91764234
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
SMILESCOc1ccccc1C1CCN(Cc2nnc(C3CC(N)C3)n2C)CC1
InChIInChI=1S/C20H29N5O/c1-24-19(22-23-20(24)15-11-16(21)12-15)13-25-9-7-14(8-10-25)17-5-3-4-6-18(17)26-2/h3-6,14-16H,7-13,21H2,1-2H3
InChIKeyLWZOFEIFDCJUBM-UHFFFAOYSA-N
XLogP2.41
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine with MolForge

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Related Compounds

3-[4-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91773371
3-[4-methyl-5-[(4-propylpiperidin-1-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91782942
2-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-1-methylbenzimidazol-4-amine
CID 69163958
1-[(2-methylphenyl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72928742
3-[4-methyl-5-[(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91769754
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
3-[5-[[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91762924
1-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 91761605
4-(2-methoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 2802698
1-[(2-ethylphenyl)methyl]-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70751340
4-(2-methoxyphenyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine
CID 77093189

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine (CID 91764234) is 3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine is COc1ccccc1C1CCN(Cc2nnc(C3CC(N)C3)n2C)CC1.
What is the InChIKey of 3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
The InChIKey is LWZOFEIFDCJUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-24-19(22-23-20(24)15-11-16(21)12-15)13-25-9-7-14(8-10-25)17-5-3-4-6-18(17)26-2/h3-6,14-16H,7-13,21H2,1-2H3.
What are the key properties of 3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine?
3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine has a molecular weight of 355.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 91764234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).