[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone

C19H27N5O2 — CID 70773920

IUPAC[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone
SMILESCN(CCO)Cc1nnc(C2CCN(C(=O)c3ccccc3)CC2)n1C
InChIInChI=1S/C19H27N5O2/c1-22(12-13-25)14-17-20-21-18(23(17)2)15-8-10-24(11-9-15)19(26)16-6-4-3-5-7-16/h3-7,15,25H,8-14H2,1-2H3
InChIKeySGCHRLGPDDWNBP-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.26
Rot. Bonds6

About [4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone

[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 70773920) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone
PubChem CID70773920
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone
SMILESCN(CCO)Cc1nnc(C2CCN(C(=O)c3ccccc3)CC2)n1C
InChIInChI=1S/C19H27N5O2/c1-22(12-13-25)14-17-20-21-18(23(17)2)15-8-10-24(11-9-15)19(26)16-6-4-3-5-7-16/h3-7,15,25H,8-14H2,1-2H3
InChIKeySGCHRLGPDDWNBP-UHFFFAOYSA-N
XLogP1.26
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone (CID 70773920) is [4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone is CN(CCO)Cc1nnc(C2CCN(C(=O)c3ccccc3)CC2)n1C.
What is the InChIKey of [4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is SGCHRLGPDDWNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-22(12-13-25)14-17-20-21-18(23(17)2)15-8-10-24(11-9-15)19(26)16-6-4-3-5-7-16/h3-7,15,25H,8-14H2,1-2H3.
What are the key properties of [4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone?
[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 357.46 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 70773920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).