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

C17H29N5O3 — CID 70717409

IUPACpropyl 4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C17H29N5O3/c1-3-10-25-17(23)22-6-4-14(5-7-22)16-19-18-15(20(16)2)13-21-8-11-24-12-9-21/h14H,3-13H2,1-2H3
InChIKeyHMGZESXEDQPYRW-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.37
Rot. Bonds5

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

propyl 4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate (PubChem CID 70717409) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is propyl 4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate
PubChem CID70717409
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Namepropyl 4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C17H29N5O3/c1-3-10-25-17(23)22-6-4-14(5-7-22)16-19-18-15(20(16)2)13-21-8-11-24-12-9-21/h14H,3-13H2,1-2H3
InChIKeyHMGZESXEDQPYRW-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 4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of propyl 4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate (CID 70717409) is propyl 4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for propyl 4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for propyl 4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate is CCCOC(=O)N1CCC(c2nnc(CN3CCOCC3)n2C)CC1.
What is the InChIKey of propyl 4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
The InChIKey is HMGZESXEDQPYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-3-10-25-17(23)22-6-4-14(5-7-22)16-19-18-15(20(16)2)13-21-8-11-24-12-9-21/h14H,3-13H2,1-2H3.
What are the key properties of propyl 4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate?
propyl 4-[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 4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 70717409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).