5-(pyrrolidin-3-ylamino)piperidin-2-one

C9H17N3O — CID 79741787

IUPAC5-(pyrrolidin-3-ylamino)piperidin-2-one
SMILESO=C1CCC(NC2CCNC2)CN1
InChIInChI=1S/C9H17N3O/c13-9-2-1-7(6-11-9)12-8-3-4-10-5-8/h7-8,10,12H,1-6H2,(H,11,13)
InChIKeyVVZWTNZPHIFASH-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.78
Rot. Bonds2

About 5-(pyrrolidin-3-ylamino)piperidin-2-one

5-(pyrrolidin-3-ylamino)piperidin-2-one (PubChem CID 79741787) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-(pyrrolidin-3-ylamino)piperidin-2-one.

Molecular Properties

Compound Name5-(pyrrolidin-3-ylamino)piperidin-2-one
PubChem CID79741787
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name5-(pyrrolidin-3-ylamino)piperidin-2-one
SMILESO=C1CCC(NC2CCNC2)CN1
InChIInChI=1S/C9H17N3O/c13-9-2-1-7(6-11-9)12-8-3-4-10-5-8/h7-8,10,12H,1-6H2,(H,11,13)
InChIKeyVVZWTNZPHIFASH-UHFFFAOYSA-N
XLogP-0.78
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-3-ylamino)piperidin-2-one?
The IUPAC name of 5-(pyrrolidin-3-ylamino)piperidin-2-one (CID 79741787) is 5-(pyrrolidin-3-ylamino)piperidin-2-one.
What is the SMILES notation for 5-(pyrrolidin-3-ylamino)piperidin-2-one?
The canonical SMILES for 5-(pyrrolidin-3-ylamino)piperidin-2-one is O=C1CCC(NC2CCNC2)CN1.
What is the InChIKey of 5-(pyrrolidin-3-ylamino)piperidin-2-one?
The InChIKey is VVZWTNZPHIFASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c13-9-2-1-7(6-11-9)12-8-3-4-10-5-8/h7-8,10,12H,1-6H2,(H,11,13).
What are the key properties of 5-(pyrrolidin-3-ylamino)piperidin-2-one?
5-(pyrrolidin-3-ylamino)piperidin-2-one has a molecular weight of 183.25 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-3-ylamino)piperidin-2-one is sourced from PubChem (CID 79741787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).