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

C19H31N5O — CID 70755474

IUPAC2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCn1c(CN2CCCCC2)nnc1C1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C19H31N5O/c1-22-17(14-23-9-3-2-4-10-23)20-21-19(22)16-7-11-24(12-8-16)18(25)13-15-5-6-15/h15-16H,2-14H2,1H3
InChIKeyLRSJMFVKMRZDMO-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.31
Rot. Bonds5

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

2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (PubChem CID 70755474) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
PubChem CID70755474
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
SMILESCn1c(CN2CCCCC2)nnc1C1CCN(C(=O)CC2CC2)CC1
InChIInChI=1S/C19H31N5O/c1-22-17(14-23-9-3-2-4-10-23)20-21-19(22)16-7-11-24(12-8-16)18(25)13-15-5-6-15/h15-16H,2-14H2,1H3
InChIKeyLRSJMFVKMRZDMO-UHFFFAOYSA-N
XLogP2.31
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone (CID 70755474) is 2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is Cn1c(CN2CCCCC2)nnc1C1CCN(C(=O)CC2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
The InChIKey is LRSJMFVKMRZDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-22-17(14-23-9-3-2-4-10-23)20-21-19(22)16-7-11-24(12-8-16)18(25)13-15-5-6-15/h15-16H,2-14H2,1H3.
What are the key properties of 2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone?
2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 345.49 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70755474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).