(4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C20H27N5O2 — CID 70719586

IUPAC(4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C20H27N5O2/c1-23-18(14-24-10-2-3-11-24)21-22-19(23)15-8-12-25(13-9-15)20(27)16-4-6-17(26)7-5-16/h4-7,15,26H,2-3,8-14H2,1H3
InChIKeyMGTMJPDTNBCUAE-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.14
Rot. Bonds4

About (4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

(4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70719586) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70719586
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C20H27N5O2/c1-23-18(14-24-10-2-3-11-24)21-22-19(23)15-8-12-25(13-9-15)20(27)16-4-6-17(26)7-5-16/h4-7,15,26H,2-3,8-14H2,1H3
InChIKeyMGTMJPDTNBCUAE-UHFFFAOYSA-N
XLogP2.14
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70719586) is (4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is Cn1c(CN2CCCC2)nnc1C1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of (4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is MGTMJPDTNBCUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-23-18(14-24-10-2-3-11-24)21-22-19(23)15-8-12-25(13-9-15)20(27)16-4-6-17(26)7-5-16/h4-7,15,26H,2-3,8-14H2,1H3.
What are the key properties of (4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
(4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70719586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).