(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one

C14H25N3O2 — CID 124559943

IUPAC(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1C(=O)CCC1CCNCC1
InChIInChI=1S/C14H25N3O2/c1-2-12-14(19)16-9-10-17(12)13(18)4-3-11-5-7-15-8-6-11/h11-12,15H,2-10H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyZHSAIMVSIDQTSY-LBPRGKRZSA-N
MW267.37 g/mol
LogP0.50
Rot. Bonds4

About (3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one

(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one (PubChem CID 124559943) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one
PubChem CID124559943
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one
SMILESCC[C@H]1C(=O)NCCN1C(=O)CCC1CCNCC1
InChIInChI=1S/C14H25N3O2/c1-2-12-14(19)16-9-10-17(12)13(18)4-3-11-5-7-15-8-6-11/h11-12,15H,2-10H2,1H3,(H,16,19)/t12-/m0/s1
InChIKeyZHSAIMVSIDQTSY-LBPRGKRZSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethoxybutanoyl)-3-ethylpiperazin-2-one
CID 78947868
3-ethyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63600882
3-ethyl-4-[3-(oxan-2-yl)propanoyl]piperazin-2-one
CID 63940202
4-[3-(cyclopropylamino)propanoyl]-3-ethylpiperazin-2-one
CID 63600881
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
3-ethyl-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 63600127
4-[3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropyl]benzoic acid
CID 119184179
1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 62210226
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-3-ethylpiperazin-2-one;hydrochloride
CID 119773833
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
3-ethyl-4-(3-methylpentanoyl)piperazin-2-one
CID 114875520
N-[6-(2-ethyl-3-oxopiperazin-1-yl)-6-oxohexyl]acetamide
CID 63601505

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one?
The IUPAC name of (3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one (CID 124559943) is (3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one?
The canonical SMILES for (3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one is CC[C@H]1C(=O)NCCN1C(=O)CCC1CCNCC1.
What is the InChIKey of (3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one?
The InChIKey is ZHSAIMVSIDQTSY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-12-14(19)16-9-10-17(12)13(18)4-3-11-5-7-15-8-6-11/h11-12,15H,2-10H2,1H3,(H,16,19)/t12-/m0/s1.
What are the key properties of (3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one?
(3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one has a molecular weight of 267.37 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-(3-piperidin-4-ylpropanoyl)piperazin-2-one is sourced from PubChem (CID 124559943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).