2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone

C19H31N5O2 — CID 70715452

IUPAC2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCn1c(CN2CCC(O)CC2)nnc1C1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C19H31N5O2/c1-22-17(13-23-8-6-16(25)7-9-23)20-21-19(22)15-4-10-24(11-5-15)18(26)12-14-2-3-14/h14-16,25H,2-13H2,1H3
InChIKeyYQODXNLZQDZHIW-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.28
Rot. Bonds5

About 2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone

2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 70715452) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
PubChem CID70715452
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCn1c(CN2CCC(O)CC2)nnc1C1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C19H31N5O2/c1-22-17(13-23-8-6-16(25)7-9-23)20-21-19(22)15-4-10-24(11-5-15)18(26)12-14-2-3-14/h14-16,25H,2-13H2,1H3
InChIKeyYQODXNLZQDZHIW-UHFFFAOYSA-N
XLogP1.28
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (CID 70715452) is 2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is Cn1c(CN2CCC(O)CC2)nnc1C1CCN(C(=O)CC2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is YQODXNLZQDZHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-22-17(13-23-8-6-16(25)7-9-23)20-21-19(22)15-4-10-24(11-5-15)18(26)12-14-2-3-14/h14-16,25H,2-13H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 361.49 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70715452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).