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

C19H32N6O2 — CID 70764223

IUPAC1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCn1c(CN2CCCC2)nnc1C1CCCN(C(=O)CN2CCOCC2)C1
InChIInChI=1S/C19H32N6O2/c1-22-17(14-23-6-2-3-7-23)20-21-19(22)16-5-4-8-25(13-16)18(26)15-24-9-11-27-12-10-24/h16H,2-15H2,1H3
InChIKeyKNMCOPNDMPGUHL-UHFFFAOYSA-N
MW376.51 g/mol
LogP0.45
Rot. Bonds5

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

1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 70764223) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID70764223
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
SMILESCn1c(CN2CCCC2)nnc1C1CCCN(C(=O)CN2CCOCC2)C1
InChIInChI=1S/C19H32N6O2/c1-22-17(14-23-6-2-3-7-23)20-21-19(22)16-5-4-8-25(13-16)18(26)15-24-9-11-27-12-10-24/h16H,2-15H2,1H3
InChIKeyKNMCOPNDMPGUHL-UHFFFAOYSA-N
XLogP0.45
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 70764223) is 1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is Cn1c(CN2CCCC2)nnc1C1CCCN(C(=O)CN2CCOCC2)C1.
What is the InChIKey of 1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is KNMCOPNDMPGUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-22-17(14-23-6-2-3-7-23)20-21-19(22)16-5-4-8-25(13-16)18(26)15-24-9-11-27-12-10-24/h16H,2-15H2,1H3.
What are the key properties of 1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 376.51 g/mol, XLogP of 0.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 70764223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).