4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one

C17H23N3O3 — CID 110682116

IUPAC4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCOc1ccc(N2CCN(C(=O)C3CCNC(=O)C3)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-23-15-4-2-14(3-5-15)19-8-10-20(11-9-19)17(22)13-6-7-18-16(21)12-13/h2-5,13H,6-12H2,1H3,(H,18,21)
InChIKeyPUXMUWKTYMWFGH-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.87
Rot. Bonds3

About 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one

4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 110682116) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID110682116
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCOc1ccc(N2CCN(C(=O)C3CCNC(=O)C3)CC2)cc1
InChIInChI=1S/C17H23N3O3/c1-23-15-4-2-14(3-5-15)19-8-10-20(11-9-19)17(22)13-6-7-18-16(21)12-13/h2-5,13H,6-12H2,1H3,(H,18,21)
InChIKeyPUXMUWKTYMWFGH-UHFFFAOYSA-N
XLogP0.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-1-methylpiperidin-2-one
CID 94631489
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113185530
(1-ethylsulfonylpiperidin-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6500405
[4-(4-methoxyphenyl)piperazin-1-yl]-(oxan-3-yl)methanone
CID 110856431
(1S,2R,3S,4S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98368835
4-[(3R)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 95115310
3-(2-methoxyethyl)-7-[4-(2-oxopiperidine-4-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126899009
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513
[4-(4-methoxyphenyl)piperazin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 99941257
[1-(4-fluorobenzoyl)piperidin-4-yl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918263

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one (CID 110682116) is 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one is COc1ccc(N2CCN(C(=O)C3CCNC(=O)C3)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is PUXMUWKTYMWFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-4-2-14(3-5-15)19-8-10-20(11-9-19)17(22)13-6-7-18-16(21)12-13/h2-5,13H,6-12H2,1H3,(H,18,21).
What are the key properties of 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one?
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 110682116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).