1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one

C24H30N4O3 — CID 15987370

IUPAC1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one
SMILESO=C(c1ccncc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1
InChIInChI=1S/C24H30N4O3/c29-23-19-27(24(30)20-9-11-25-12-10-20)16-17-28(23)21-5-7-22(8-6-21)31-18-4-15-26-13-2-1-3-14-26/h5-12H,1-4,13-19H2
InChIKeyVHLRHCYIQVDGRF-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.83
Rot. Bonds7

About 1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one

1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one (PubChem CID 15987370) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one
PubChem CID15987370
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one
SMILESO=C(c1ccncc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1
InChIInChI=1S/C24H30N4O3/c29-23-19-27(24(30)20-9-11-25-12-10-20)16-17-28(23)21-5-7-22(8-6-21)31-18-4-15-26-13-2-1-3-14-26/h5-12H,1-4,13-19H2
InChIKeyVHLRHCYIQVDGRF-UHFFFAOYSA-N
XLogP2.83
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-[4-(pyrrolidine-1-carbonyl)benzoyl]piperazin-2-one
CID 59840170
1-[4-[3-(azepan-1-yl)propoxy]phenyl]-4-(4-methylsulfonylbenzoyl)piperazin-2-one
CID 59840184
1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(quinoline-6-carbonyl)piperazin-2-one
CID 15987279
[(2R,6S)-2,6-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 59250190
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10342375
4-(3,5-difluorobenzoyl)-1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperazin-2-one
CID 24749079
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4-(pyridine-4-carbonyl)piperazin-2-one
CID 15987109
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 27846376
[4-(morpholine-4-carbonyl)-1,4-diazepan-1-yl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 10389448
(4-methylcyclohexyl)-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]methanone
CID 10072727
[4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone
CID 10005692
[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-pyrrolidin-1-ylmethanone;1-methylpyrrolidine
CID 142171815

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one?
The IUPAC name of 1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one (CID 15987370) is 1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one is O=C(c1ccncc1)N1CCN(c2ccc(OCCCN3CCCCC3)cc2)C(=O)C1.
What is the InChIKey of 1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one?
The InChIKey is VHLRHCYIQVDGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c29-23-19-27(24(30)20-9-11-25-12-10-20)16-17-28(23)21-5-7-22(8-6-21)31-18-4-15-26-13-2-1-3-14-26/h5-12H,1-4,13-19H2.
What are the key properties of 1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one?
1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one has a molecular weight of 422.53 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(pyridine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 15987370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).