1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one

C14H23N5O — CID 3724647

IUPAC1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(CCN1CCCCC1)n1cncn1
InChIInChI=1S/C14H23N5O/c20-14-5-4-9-18(14)13(19-12-15-11-16-19)6-10-17-7-2-1-3-8-17/h11-13H,1-10H2
InChIKeyNSTORFVNZXMFQO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.28
Rot. Bonds5

About 1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one

1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one (PubChem CID 3724647) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one
PubChem CID3724647
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(CCN1CCCCC1)n1cncn1
InChIInChI=1S/C14H23N5O/c20-14-5-4-9-18(14)13(19-12-15-11-16-19)6-10-17-7-2-1-3-8-17/h11-13H,1-10H2
InChIKeyNSTORFVNZXMFQO-UHFFFAOYSA-N
XLogP1.28
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one (CID 3724647) is 1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one is O=C1CCCN1C(CCN1CCCCC1)n1cncn1.
What is the InChIKey of 1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is NSTORFVNZXMFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c20-14-5-4-9-18(14)13(19-12-15-11-16-19)6-10-17-7-2-1-3-8-17/h11-13H,1-10H2.
What are the key properties of 1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one?
1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-piperidin-1-yl-1-(1,2,4-triazol-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 3724647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).