2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone

C17H32N4O2 — CID 120635729

IUPAC2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)CC1
InChIInChI=1S/C17H32N4O2/c1-4-19(5-2)13-16(22)20-8-10-21(11-9-20)17(23)15-6-7-18-14(3)12-15/h14-15,18H,4-13H2,1-3H3/t14-,15-/m0/s1
InChIKeyODJXHSMJVVZDFA-GJZGRUSLSA-N
MW324.47 g/mol
LogP0.39
Rot. Bonds5

About 2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone

2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 120635729) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID120635729
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)CC1
InChIInChI=1S/C17H32N4O2/c1-4-19(5-2)13-16(22)20-8-10-21(11-9-20)17(23)15-6-7-18-14(3)12-15/h14-15,18H,4-13H2,1-3H3/t14-,15-/m0/s1
InChIKeyODJXHSMJVVZDFA-GJZGRUSLSA-N
XLogP0.39
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 120631697
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120640402
1-(3,5-dimethylpiperidin-1-yl)-2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 120631687
2-(diethylamino)-1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119875939
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[ethyl(2-methylprop-2-enyl)amino]ethanone
CID 87013516
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 106740610
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 120617558
[(2S,4S)-2-methylpiperidin-4-yl]-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]methanone
CID 120636089
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
CID 120637071

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone (CID 120635729) is 2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone is CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)CC1.
What is the InChIKey of 2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is ODJXHSMJVVZDFA-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-4-19(5-2)13-16(22)20-8-10-21(11-9-20)17(23)15-6-7-18-14(3)12-15/h14-15,18H,4-13H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of 2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone?
2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 324.47 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 120635729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).