4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one

C16H25N3O — CID 53191805

IUPAC4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESO=c1cc(CN2CCN(C3CCCCC3)CC2)cc[nH]1
InChIInChI=1S/C16H25N3O/c20-16-12-14(6-7-17-16)13-18-8-10-19(11-9-18)15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,17,20)
InChIKeyNIMKICORRJXNFN-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.83
Rot. Bonds3

About 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one

4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 53191805) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID53191805
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESO=c1cc(CN2CCN(C3CCCCC3)CC2)cc[nH]1
InChIInChI=1S/C16H25N3O/c20-16-12-14(6-7-17-16)13-18-8-10-19(11-9-18)15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,17,20)
InChIKeyNIMKICORRJXNFN-UHFFFAOYSA-N
XLogP1.83
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one (CID 53191805) is 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one is O=c1cc(CN2CCN(C3CCCCC3)CC2)cc[nH]1.
What is the InChIKey of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is NIMKICORRJXNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16-12-14(6-7-17-16)13-18-8-10-19(11-9-18)15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13H2,(H,17,20).
What are the key properties of 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 275.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexylpiperazin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 53191805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).