1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone

C16H29N5O2 — CID 45231908

IUPAC1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
SMILESCC(O)c1cn(CC2CCN(C(=O)CN(C)C(C)C)CC2)nn1
InChIInChI=1S/C16H29N5O2/c1-12(2)19(4)11-16(23)20-7-5-14(6-8-20)9-21-10-15(13(3)22)17-18-21/h10,12-14,22H,5-9,11H2,1-4H3
InChIKeyUDOWPLYBSJYNBU-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.91
Rot. Bonds6

About 1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone

1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 45231908) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
PubChem CID45231908
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
SMILESCC(O)c1cn(CC2CCN(C(=O)CN(C)C(C)C)CC2)nn1
InChIInChI=1S/C16H29N5O2/c1-12(2)19(4)11-16(23)20-7-5-14(6-8-20)9-21-10-15(13(3)22)17-18-21/h10,12-14,22H,5-9,11H2,1-4H3
InChIKeyUDOWPLYBSJYNBU-UHFFFAOYSA-N
XLogP0.91
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone (CID 45231908) is 1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone is CC(O)c1cn(CC2CCN(C(=O)CN(C)C(C)C)CC2)nn1.
What is the InChIKey of 1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
The InChIKey is UDOWPLYBSJYNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-12(2)19(4)11-16(23)20-7-5-14(6-8-20)9-21-10-15(13(3)22)17-18-21/h10,12-14,22H,5-9,11H2,1-4H3.
What are the key properties of 1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 323.44 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(1-hydroxyethyl)triazol-1-yl]methyl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 45231908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).