1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one

C18H31N3O2 — CID 91536514

IUPAC1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one
SMILESO=C1CCN(CCC(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C18H31N3O2/c22-17-6-11-19(12-7-17)13-8-18(23)21-14-4-16(5-15-21)20-9-2-1-3-10-20/h16H,1-15H2
InChIKeyRTIXUPOZHUHJKN-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.52
Rot. Bonds4

About 1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one

1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one (PubChem CID 91536514) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one
PubChem CID91536514
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one
SMILESO=C1CCN(CCC(=O)N2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C18H31N3O2/c22-17-6-11-19(12-7-17)13-8-18(23)21-14-4-16(5-15-21)20-9-2-1-3-10-20/h16H,1-15H2
InChIKeyRTIXUPOZHUHJKN-UHFFFAOYSA-N
XLogP1.52
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Piperidin-1-ylpropanoyl)piperidin-4-one
CID 123539984
1-[2-Amino-3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one
CID 21102229
Tris(1-[4-(dimethylamino)piperidin-1-yl]butane-1,3-dione);iron(3+)
CID 53467781
1-Propan-2-ylpiperidin-4-one;1-propylpiperidin-2-one
CID 69192365
3-Piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 141069990
1-Piperidin-1-ylethanone;1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 163600748
3-(4-Methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 166945850
3-(4-Ethylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 167027277
1-[3-(4-Aminopiperidin-1-yl)-3-oxopropyl]piperidin-4-one
CID 39256517
1-(4-Piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
3-[3-Methyl-4-(3-oxo-3-piperidin-1-ylpropyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 78860768
9-(3-Oxo-3-piperidin-1-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 104435858

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one?
The IUPAC name of 1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one (CID 91536514) is 1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one.
What is the SMILES notation for 1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one?
The canonical SMILES for 1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one is O=C1CCN(CCC(=O)N2CCC(N3CCCCC3)CC2)CC1.
What is the InChIKey of 1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one?
The InChIKey is RTIXUPOZHUHJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c22-17-6-11-19(12-7-17)13-8-18(23)21-14-4-16(5-15-21)20-9-2-1-3-10-20/h16H,1-15H2.
What are the key properties of 1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one?
1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one has a molecular weight of 321.47 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]piperidin-4-one is sourced from PubChem (CID 91536514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).