1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one

C15H27N3O3 — CID 95607304

IUPAC1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one
SMILESC[C@@H](O)CN1CCN(C(=O)[C@H](C)N2CCCCC2=O)CC1
InChIInChI=1S/C15H27N3O3/c1-12(19)11-16-7-9-17(10-8-16)15(21)13(2)18-6-4-3-5-14(18)20/h12-13,19H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyIXNAJDJUEZWOPO-OLZOCXBDSA-N
MW297.40 g/mol
LogP-0.09
Rot. Bonds4

About 1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one

1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one (PubChem CID 95607304) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one
PubChem CID95607304
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one
SMILESC[C@@H](O)CN1CCN(C(=O)[C@H](C)N2CCCCC2=O)CC1
InChIInChI=1S/C15H27N3O3/c1-12(19)11-16-7-9-17(10-8-16)15(21)13(2)18-6-4-3-5-14(18)20/h12-13,19H,3-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyIXNAJDJUEZWOPO-OLZOCXBDSA-N
XLogP-0.09
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-Piperazineethanol, alpha-methyl-4-(1-oxo-3-(1-piperidinyl)propyl)-
CID 3066374
3-[4-(2-Hydroxypropyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53590564
1-(1-Oxo-1-piperidin-1-ylpropan-2-yl)piperidin-2-one
CID 84583535
1-[4-(2-Hydroxypropyl)-2-methylpiperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 136538970
1-(2-Methylpiperidin-1-yl)-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]ethanone
CID 75455996
1-Piperidin-1-yl-2-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 75507577
1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 97352796
1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 97352797
1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 97352798
1-[(2S)-2-methylpiperidin-1-yl]-2-[4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 97352799
(2S)-1-piperidin-1-yl-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 97833143
(2R)-1-piperidin-1-yl-2-[4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 97833144

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one?
The IUPAC name of 1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one (CID 95607304) is 1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one.
What is the SMILES notation for 1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one?
The canonical SMILES for 1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one is C[C@@H](O)CN1CCN(C(=O)[C@H](C)N2CCCCC2=O)CC1.
What is the InChIKey of 1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one?
The InChIKey is IXNAJDJUEZWOPO-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12(19)11-16-7-9-17(10-8-16)15(21)13(2)18-6-4-3-5-14(18)20/h12-13,19H,3-11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of 1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one?
1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one has a molecular weight of 297.40 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-oxopropan-2-yl]piperidin-2-one is sourced from PubChem (CID 95607304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).