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

C16H27N7O3 — CID 70712514

IUPAC[2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(C(=O)CNC(N)=O)C1
InChIInChI=1S/C16H27N7O3/c1-21-13(11-22-5-7-26-8-6-22)19-20-15(21)12-3-2-4-23(10-12)14(24)9-18-16(17)25/h12H,2-11H2,1H3,(H3,17,18,25)
InChIKeyDGDFHXWIZZRUDP-UHFFFAOYSA-N
MW365.44 g/mol
LogP-0.98
Rot. Bonds5

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

[2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 70712514) has the molecular formula C16H27N7O3 and a molecular weight of 365.44 g/mol. Its IUPAC name is [2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea
PubChem CID70712514
Molecular FormulaC16H27N7O3
Molecular Weight365.44 g/mol
Exact Mass365.22
IUPAC Name[2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea
SMILESCn1c(CN2CCOCC2)nnc1C1CCCN(C(=O)CNC(N)=O)C1
InChIInChI=1S/C16H27N7O3/c1-21-13(11-22-5-7-26-8-6-22)19-20-15(21)12-3-2-4-23(10-12)14(24)9-18-16(17)25/h12H,2-11H2,1H3,(H3,17,18,25)
InChIKeyDGDFHXWIZZRUDP-UHFFFAOYSA-N
XLogP-0.98
TPSA118.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea (CID 70712514) is [2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea is Cn1c(CN2CCOCC2)nnc1C1CCCN(C(=O)CNC(N)=O)C1.
What is the InChIKey of [2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is DGDFHXWIZZRUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7O3/c1-21-13(11-22-5-7-26-8-6-22)19-20-15(21)12-3-2-4-23(10-12)14(24)9-18-16(17)25/h12H,2-11H2,1H3,(H3,17,18,25).
What are the key properties of [2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea?
[2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 365.44 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 70712514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).