1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one

C16H28N2O — CID 21018603

IUPAC1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C16H28N2O/c19-15-7-4-12-18(15)13-16(8-10-17-11-9-16)14-5-2-1-3-6-14/h14,17H,1-13H2
InChIKeyJPANFCHZGBOESI-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.56
Rot. Bonds3

About 1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one

1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one (PubChem CID 21018603) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one
PubChem CID21018603
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C16H28N2O/c19-15-7-4-12-18(15)13-16(8-10-17-11-9-16)14-5-2-1-3-6-14/h14,17H,1-13H2
InChIKeyJPANFCHZGBOESI-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one (CID 21018603) is 1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one is O=C1CCCN1CC1(C2CCCCC2)CCNCC1.
What is the InChIKey of 1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is JPANFCHZGBOESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c19-15-7-4-12-18(15)13-16(8-10-17-11-9-16)14-5-2-1-3-6-14/h14,17H,1-13H2.
What are the key properties of 1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one?
1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 264.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclohexylpiperidin-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 21018603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).