3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one

C13H23N3O2 — CID 120630858

IUPAC3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C13H23N3O2/c1-3-11-12(17)15-6-7-16(11)13(18)10-4-5-14-9(2)8-10/h9-11,14H,3-8H2,1-2H3,(H,15,17)/t9-,10-,11?/m0/s1
InChIKeySAWBFMJGWFWSMM-QRHSGQBVSA-N
MW253.35 g/mol
LogP0.11
Rot. Bonds2

About 3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one

3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one (PubChem CID 120630858) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one
PubChem CID120630858
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C13H23N3O2/c1-3-11-12(17)15-6-7-16(11)13(18)10-4-5-14-9(2)8-10/h9-11,14H,3-8H2,1-2H3,(H,15,17)/t9-,10-,11?/m0/s1
InChIKeySAWBFMJGWFWSMM-QRHSGQBVSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(2-methylcyclopropanecarbonyl)piperazin-2-one
CID 63602423
3-ethyl-4-(oxolane-3-carbonyl)piperazin-2-one
CID 63602606
4-(3,3-difluorocyclopentanecarbonyl)-3-ethylpiperazin-2-one
CID 114094362
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylpiperidin-4-yl)methanone
CID 106739379
1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 120623924
1-(2-methylpiperidine-4-carbonyl)-1,4-diazepan-5-one
CID 106740000
4-(2-bromopropanoyl)-3-ethylpiperazin-2-one
CID 107905248
3-ethyl-4-(3-methyl-2-propan-2-ylbutanoyl)piperazin-2-one
CID 114282285
4-(2-cyclohexylacetyl)-3-ethylpiperazin-2-one
CID 63600501
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106738823
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617962
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoacetate
CID 63603542

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one (CID 120630858) is 3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of 3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one?
The InChIKey is SAWBFMJGWFWSMM-QRHSGQBVSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-11-12(17)15-6-7-16(11)13(18)10-4-5-14-9(2)8-10/h9-11,14H,3-8H2,1-2H3,(H,15,17)/t9-,10-,11?/m0/s1.
What are the key properties of 3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one?
3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 120630858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).