5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C22H27N3O2 — CID 162668904

IUPAC5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H27N3O2/c26-21-11-8-19(16-23-21)22(27)25-14-12-24(13-15-25)20-9-6-18(7-10-20)17-4-2-1-3-5-17/h1-5,8,11,16,18,20H,6-7,9-10,12-15H2,(H,23,26)
InChIKeyPGIFNFHFONCUJV-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.86
Rot. Bonds3

About 5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one

5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 162668904) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID162668904
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCN(C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C22H27N3O2/c26-21-11-8-19(16-23-21)22(27)25-14-12-24(13-15-25)20-9-6-18(7-10-20)17-4-2-1-3-5-17/h1-5,8,11,16,18,20H,6-7,9-10,12-15H2,(H,23,26)
InChIKeyPGIFNFHFONCUJV-UHFFFAOYSA-N
XLogP2.86
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 162668904) is 5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCN(C2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is PGIFNFHFONCUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21-11-8-19(16-23-21)22(27)25-14-12-24(13-15-25)20-9-6-18(7-10-20)17-4-2-1-3-5-17/h1-5,8,11,16,18,20H,6-7,9-10,12-15H2,(H,23,26).
What are the key properties of 5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 365.48 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-phenylcyclohexyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 162668904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).