1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one

C19H32N6O2 — CID 46983393

IUPAC1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one
SMILESCC(C)(N)c1cn(CC2CCCN(C(=O)CCN3CCCCC3=O)C2)nn1
InChIInChI=1S/C19H32N6O2/c1-19(2,20)16-14-25(22-21-16)13-15-6-5-10-24(12-15)18(27)8-11-23-9-4-3-7-17(23)26/h14-15H,3-13,20H2,1-2H3
InChIKeyZPDQANJQIVVVPV-UHFFFAOYSA-N
MW376.51 g/mol
LogP1.11
Rot. Bonds6

About 1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one

1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one (PubChem CID 46983393) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one
PubChem CID46983393
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one
SMILESCC(C)(N)c1cn(CC2CCCN(C(=O)CCN3CCCCC3=O)C2)nn1
InChIInChI=1S/C19H32N6O2/c1-19(2,20)16-14-25(22-21-16)13-15-6-5-10-24(12-15)18(27)8-11-23-9-4-3-7-17(23)26/h14-15H,3-13,20H2,1-2H3
InChIKeyZPDQANJQIVVVPV-UHFFFAOYSA-N
XLogP1.11
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one?
The IUPAC name of 1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one (CID 46983393) is 1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one?
The canonical SMILES for 1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one is CC(C)(N)c1cn(CC2CCCN(C(=O)CCN3CCCCC3=O)C2)nn1.
What is the InChIKey of 1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one?
The InChIKey is ZPDQANJQIVVVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-19(2,20)16-14-25(22-21-16)13-15-6-5-10-24(12-15)18(27)8-11-23-9-4-3-7-17(23)26/h14-15H,3-13,20H2,1-2H3.
What are the key properties of 1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one?
1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one has a molecular weight of 376.51 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[[4-(2-aminopropan-2-yl)triazol-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one is sourced from PubChem (CID 46983393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).