1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one

C19H35N3O2 — CID 75474280

IUPAC1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one
SMILESCCCCCN1CCN(C2CCCN(C3CCOCC3)C2=O)CC1
InChIInChI=1S/C19H35N3O2/c1-2-3-4-9-20-11-13-21(14-12-20)18-6-5-10-22(19(18)23)17-7-15-24-16-8-17/h17-18H,2-16H2,1H3
InChIKeyDFGFGZXDJCYATA-UHFFFAOYSA-N
MW337.51 g/mol
LogP1.96
Rot. Bonds6

About 1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one

1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one (PubChem CID 75474280) has the molecular formula C19H35N3O2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one
PubChem CID75474280
Molecular FormulaC19H35N3O2
Molecular Weight337.51 g/mol
Exact Mass337.27
IUPAC Name1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one
SMILESCCCCCN1CCN(C2CCCN(C3CCOCC3)C2=O)CC1
InChIInChI=1S/C19H35N3O2/c1-2-3-4-9-20-11-13-21(14-12-20)18-6-5-10-22(19(18)23)17-7-15-24-16-8-17/h17-18H,2-16H2,1H3
InChIKeyDFGFGZXDJCYATA-UHFFFAOYSA-N
XLogP1.96
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-[1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide
CID 75473864
N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide
CID 97344660
3-[4-[(5-ethoxy-2-pyridinyl)methyl]piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 75474285
(3S)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 97342876
3-(4-benzoylpiperazin-1-yl)-1-(oxan-4-yl)piperidin-2-one
CID 75473640
3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile
CID 97344069
(3S)-3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 97342882
2-(oxan-4-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944324
3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride
CID 119919883
(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 97343887
2-hexyl-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944085
3-ethyl-2-pentyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932621

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one?
The IUPAC name of 1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one (CID 75474280) is 1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one.
What is the SMILES notation for 1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one?
The canonical SMILES for 1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one is CCCCCN1CCN(C2CCCN(C3CCOCC3)C2=O)CC1.
What is the InChIKey of 1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one?
The InChIKey is DFGFGZXDJCYATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O2/c1-2-3-4-9-20-11-13-21(14-12-20)18-6-5-10-22(19(18)23)17-7-15-24-16-8-17/h17-18H,2-16H2,1H3.
What are the key properties of 1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one?
1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one has a molecular weight of 337.51 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one is sourced from PubChem (CID 75474280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).