propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate

C17H29N5O3 — CID 70708723

IUPACpropyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C17H29N5O3/c1-3-9-25-17(23)22-6-4-5-14(12-22)16-19-18-15(20(16)2)13-21-7-10-24-11-8-21/h14H,3-13H2,1-2H3
InChIKeyWTDOAMXDCIELQH-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.37
Rot. Bonds5

About propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate

propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate (PubChem CID 70708723) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate
PubChem CID70708723
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Namepropyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C17H29N5O3/c1-3-9-25-17(23)22-6-4-5-14(12-22)16-19-18-15(20(16)2)13-21-7-10-24-11-8-21/h14H,3-13H2,1-2H3
InChIKeyWTDOAMXDCIELQH-UHFFFAOYSA-N
XLogP1.37
TPSA72.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate (CID 70708723) is propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate is CCCOC(=O)N1CCCC(c2nnc(CN3CCOCC3)n2C)C1.
What is the InChIKey of propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
The InChIKey is WTDOAMXDCIELQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-3-9-25-17(23)22-6-4-5-14(12-22)16-19-18-15(20(16)2)13-21-7-10-24-11-8-21/h14H,3-13H2,1-2H3.
What are the key properties of propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 70708723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).