1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one

C16H26N6O2 — CID 118768867

IUPAC1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESCC(C)CN1CC(C(=O)N2CCN(c3ncn[nH]3)CC2)CCC1=O
InChIInChI=1S/C16H26N6O2/c1-12(2)9-22-10-13(3-4-14(22)23)15(24)20-5-7-21(8-6-20)16-17-11-18-19-16/h11-13H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyYISVHELZITXXPB-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.35
Rot. Bonds4

About 1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one

1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 118768867) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID118768867
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESCC(C)CN1CC(C(=O)N2CCN(c3ncn[nH]3)CC2)CCC1=O
InChIInChI=1S/C16H26N6O2/c1-12(2)9-22-10-13(3-4-14(22)23)15(24)20-5-7-21(8-6-20)16-17-11-18-19-16/h11-13H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyYISVHELZITXXPB-UHFFFAOYSA-N
XLogP0.35
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one (CID 118768867) is 1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one is CC(C)CN1CC(C(=O)N2CCN(c3ncn[nH]3)CC2)CCC1=O.
What is the InChIKey of 1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is YISVHELZITXXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-12(2)9-22-10-13(3-4-14(22)23)15(24)20-5-7-21(8-6-20)16-17-11-18-19-16/h11-13H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 334.42 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 118768867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).