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

C19H34N6O2 — CID 72852529

IUPAC3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C19H34N6O2/c1-15(2)20-18(26)6-9-24-7-4-16(5-8-24)19-22-21-17(23(19)3)14-25-10-12-27-13-11-25/h15-16H,4-14H2,1-3H3,(H,20,26)
InChIKeyDZZCJSJFLHCGAK-UHFFFAOYSA-N
MW378.52 g/mol
LogP0.74
Rot. Bonds7

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

3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 72852529) has the molecular formula C19H34N6O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide
PubChem CID72852529
Molecular FormulaC19H34N6O2
Molecular Weight378.52 g/mol
Exact Mass378.27
IUPAC Name3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCC(c2nnc(CN3CCOCC3)n2C)CC1
InChIInChI=1S/C19H34N6O2/c1-15(2)20-18(26)6-9-24-7-4-16(5-8-24)19-22-21-17(23(19)3)14-25-10-12-27-13-11-25/h15-16H,4-14H2,1-3H3,(H,20,26)
InChIKeyDZZCJSJFLHCGAK-UHFFFAOYSA-N
XLogP0.74
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide (CID 72852529) is 3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN1CCC(c2nnc(CN3CCOCC3)n2C)CC1.
What is the InChIKey of 3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is DZZCJSJFLHCGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O2/c1-15(2)20-18(26)6-9-24-7-4-16(5-8-24)19-22-21-17(23(19)3)14-25-10-12-27-13-11-25/h15-16H,4-14H2,1-3H3,(H,20,26).
What are the key properties of 3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide?
3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 378.52 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 72852529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).