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

C15H24N6O2 — CID 119061484

IUPAC1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESCCCN1CC(C(=O)N2CCN(c3ncn[nH]3)CC2)CCC1=O
InChIInChI=1S/C15H24N6O2/c1-2-5-21-10-12(3-4-13(21)22)14(23)19-6-8-20(9-7-19)15-16-11-17-18-15/h11-12H,2-10H2,1H3,(H,16,17,18)
InChIKeySHQKUJUZRDUDDS-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.10
Rot. Bonds4

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

1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 119061484) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID119061484
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESCCCN1CC(C(=O)N2CCN(c3ncn[nH]3)CC2)CCC1=O
InChIInChI=1S/C15H24N6O2/c1-2-5-21-10-12(3-4-13(21)22)14(23)19-6-8-20(9-7-19)15-16-11-17-18-15/h11-12H,2-10H2,1H3,(H,16,17,18)
InChIKeySHQKUJUZRDUDDS-UHFFFAOYSA-N
XLogP0.10
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one (CID 119061484) is 1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one is CCCN1CC(C(=O)N2CCN(c3ncn[nH]3)CC2)CCC1=O.
What is the InChIKey of 1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is SHQKUJUZRDUDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-2-5-21-10-12(3-4-13(21)22)14(23)19-6-8-20(9-7-19)15-16-11-17-18-15/h11-12H,2-10H2,1H3,(H,16,17,18).
What are the key properties of 1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one?
1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 320.40 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-5-[4-(1H-1,2,4-triazol-5-yl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 119061484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).