[1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone

C21H29N5O2 — CID 42322134

IUPAC[1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1CN1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1
InChIInChI=1S/C21H29N5O2/c1-28-20-8-4-3-7-17(20)15-24-13-9-18(10-14-24)26-16-19(22-23-26)21(27)25-11-5-2-6-12-25/h3-4,7-8,16,18H,2,5-6,9-15H2,1H3
InChIKeyURHRVCAZYNBVAG-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.75
Rot. Bonds5

About [1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone

[1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 42322134) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
PubChem CID42322134
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccccc1CN1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1
InChIInChI=1S/C21H29N5O2/c1-28-20-8-4-3-7-17(20)15-24-13-9-18(10-14-24)26-16-19(22-23-26)21(27)25-11-5-2-6-12-25/h3-4,7-8,16,18H,2,5-6,9-15H2,1H3
InChIKeyURHRVCAZYNBVAG-UHFFFAOYSA-N
XLogP2.75
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone (CID 42322134) is [1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone is COc1ccccc1CN1CCC(n2cc(C(=O)N3CCCCC3)nn2)CC1.
What is the InChIKey of [1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is URHRVCAZYNBVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-28-20-8-4-3-7-17(20)15-24-13-9-18(10-14-24)26-16-19(22-23-26)21(27)25-11-5-2-6-12-25/h3-4,7-8,16,18H,2,5-6,9-15H2,1H3.
What are the key properties of [1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone?
[1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 383.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42322134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).