1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one

C15H17NO — CID 22486730

IUPAC1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one
SMILESO=C1C(C2=CC=CC2)CCCN1C1=CC=CC1
InChIInChI=1S/C15H17NO/c17-15-14(12-6-1-2-7-12)10-5-11-16(15)13-8-3-4-9-13/h1-4,6,8,14H,5,7,9-11H2
InChIKeyUDRPEBLBZOQHBZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.96
Rot. Bonds2

About 1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one

1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one (PubChem CID 22486730) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one.

Molecular Properties

Compound Name1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one
PubChem CID22486730
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one
SMILESO=C1C(C2=CC=CC2)CCCN1C1=CC=CC1
InChIInChI=1S/C15H17NO/c17-15-14(12-6-1-2-7-12)10-5-11-16(15)13-8-3-4-9-13/h1-4,6,8,14H,5,7,9-11H2
InChIKeyUDRPEBLBZOQHBZ-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one?
The IUPAC name of 1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one (CID 22486730) is 1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one.
What is the SMILES notation for 1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one?
The canonical SMILES for 1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one is O=C1C(C2=CC=CC2)CCCN1C1=CC=CC1.
What is the InChIKey of 1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one?
The InChIKey is UDRPEBLBZOQHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c17-15-14(12-6-1-2-7-12)10-5-11-16(15)13-8-3-4-9-13/h1-4,6,8,14H,5,7,9-11H2.
What are the key properties of 1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one?
1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one has a molecular weight of 227.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(cyclopenta-1,3-dien-1-yl)piperidin-2-one is sourced from PubChem (CID 22486730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).