N-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide

C16H27N5O2 — CID 91773454

IUPACN-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(CN3C[C@@H](C)O[C@@H](C)C3)n2C)C1
InChIInChI=1S/C16H27N5O2/c1-10-7-21(8-11(2)23-10)9-15-18-19-16(20(15)4)13-5-14(6-13)17-12(3)22/h10-11,13-14H,5-9H2,1-4H3,(H,17,22)/t10-,11+,13?,14?
InChIKeyKNPGGOZQZHLQMB-WHCAJBEMSA-N
MW321.43 g/mol
LogP0.81
Rot. Bonds4

About N-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide

N-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91773454) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91773454
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(CN3C[C@@H](C)O[C@@H](C)C3)n2C)C1
InChIInChI=1S/C16H27N5O2/c1-10-7-21(8-11(2)23-10)9-15-18-19-16(20(15)4)13-5-14(6-13)17-12(3)22/h10-11,13-14H,5-9H2,1-4H3,(H,17,22)/t10-,11+,13?,14?
InChIKeyKNPGGOZQZHLQMB-WHCAJBEMSA-N
XLogP0.81
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of N-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91773454) is N-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is CC(=O)NC1CC(c2nnc(CN3C[C@@H](C)O[C@@H](C)C3)n2C)C1.
What is the InChIKey of N-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is KNPGGOZQZHLQMB-WHCAJBEMSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-10-7-21(8-11(2)23-10)9-15-18-19-16(20(15)4)13-5-14(6-13)17-12(3)22/h10-11,13-14H,5-9H2,1-4H3,(H,17,22)/t10-,11+,13?,14?.
What are the key properties of N-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
N-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 321.43 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91773454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).