3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide

C17H30N6O2 — CID 70707648

IUPAC3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C17H30N6O2/c1-13(2)18-17(24)23-6-4-5-14(11-23)16-20-19-15(21(16)3)12-22-7-9-25-10-8-22/h13-14H,4-12H2,1-3H3,(H,18,24)
InChIKeyUHTASBKIGKSAGV-UHFFFAOYSA-N
MW350.47 g/mol
LogP0.94
Rot. Bonds4

About 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide

3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 70707648) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID70707648
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC Name3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCCC(c2nnc(CN3CCOCC3)n2C)C1
InChIInChI=1S/C17H30N6O2/c1-13(2)18-17(24)23-6-4-5-14(11-23)16-20-19-15(21(16)3)12-22-7-9-25-10-8-22/h13-14H,4-12H2,1-3H3,(H,18,24)
InChIKeyUHTASBKIGKSAGV-UHFFFAOYSA-N
XLogP0.94
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide (CID 70707648) is 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide is CC(C)NC(=O)N1CCCC(c2nnc(CN3CCOCC3)n2C)C1.
What is the InChIKey of 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is UHTASBKIGKSAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-13(2)18-17(24)23-6-4-5-14(11-23)16-20-19-15(21(16)3)12-22-7-9-25-10-8-22/h13-14H,4-12H2,1-3H3,(H,18,24).
What are the key properties of 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide?
3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 70707648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).