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

C17H26N6O2 — CID 119073513

IUPAC1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CCCC2)C1)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C17H26N6O2/c24-15-6-5-13(11-23(15)14-3-1-2-4-14)16(25)21-7-9-22(10-8-21)17-18-12-19-20-17/h12-14H,1-11H2,(H,18,19,20)
InChIKeyIZYUFFUPSBIVGB-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.63
Rot. Bonds3

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

1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 119073513) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID119073513
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CCCC2)C1)N1CCN(c2ncn[nH]2)CC1
InChIInChI=1S/C17H26N6O2/c24-15-6-5-13(11-23(15)14-3-1-2-4-14)16(25)21-7-9-22(10-8-21)17-18-12-19-20-17/h12-14H,1-11H2,(H,18,19,20)
InChIKeyIZYUFFUPSBIVGB-UHFFFAOYSA-N
XLogP0.63
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one (CID 119073513) is 1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one is O=C(C1CCC(=O)N(C2CCCC2)C1)N1CCN(c2ncn[nH]2)CC1.
What is the InChIKey of 1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is IZYUFFUPSBIVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c24-15-6-5-13(11-23(15)14-3-1-2-4-14)16(25)21-7-9-22(10-8-21)17-18-12-19-20-17/h12-14H,1-11H2,(H,18,19,20).
What are the key properties of 1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 346.44 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 119073513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).