3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one

C15H25N3O — CID 91701070

IUPAC3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one
SMILESNC1=C(N2CCCCC2)C(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H25N3O/c16-13-11-18(12-7-3-1-4-8-12)15(19)14(13)17-9-5-2-6-10-17/h12H,1-11,16H2
InChIKeyMCVUGPWKFPUSLG-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.82
Rot. Bonds2

About 3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one

3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one (PubChem CID 91701070) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one
PubChem CID91701070
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one
SMILESNC1=C(N2CCCCC2)C(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H25N3O/c16-13-11-18(12-7-3-1-4-8-12)15(19)14(13)17-9-5-2-6-10-17/h12H,1-11,16H2
InChIKeyMCVUGPWKFPUSLG-UHFFFAOYSA-N
XLogP1.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one?
The IUPAC name of 3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one (CID 91701070) is 3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one is NC1=C(N2CCCCC2)C(=O)N(C2CCCCC2)C1.
What is the InChIKey of 3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one?
The InChIKey is MCVUGPWKFPUSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c16-13-11-18(12-7-3-1-4-8-12)15(19)14(13)17-9-5-2-6-10-17/h12H,1-11,16H2.
What are the key properties of 3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one?
3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one has a molecular weight of 263.38 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one is sourced from PubChem (CID 91701070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).