[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone

C16H28N6O2 — CID 70714255

IUPAC[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCN(C)Cc1nnc(C2CCCN(C(=O)N3CCOCC3)C2)n1C
InChIInChI=1S/C16H28N6O2/c1-19(2)12-14-17-18-15(20(14)3)13-5-4-6-22(11-13)16(23)21-7-9-24-10-8-21/h13H,4-12H2,1-3H3
InChIKeyYDXKKTQRHXSJFQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.51
Rot. Bonds3

About [3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone

[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 70714255) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is [3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID70714255
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC Name[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCN(C)Cc1nnc(C2CCCN(C(=O)N3CCOCC3)C2)n1C
InChIInChI=1S/C16H28N6O2/c1-19(2)12-14-17-18-15(20(14)3)13-5-4-6-22(11-13)16(23)21-7-9-24-10-8-21/h13H,4-12H2,1-3H3
InChIKeyYDXKKTQRHXSJFQ-UHFFFAOYSA-N
XLogP0.51
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 70714255) is [3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone is CN(C)Cc1nnc(C2CCCN(C(=O)N3CCOCC3)C2)n1C.
What is the InChIKey of [3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is YDXKKTQRHXSJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-19(2)12-14-17-18-15(20(14)3)13-5-4-6-22(11-13)16(23)21-7-9-24-10-8-21/h13H,4-12H2,1-3H3.
What are the key properties of [3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 336.44 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70714255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).