4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide

C12H21N3O2 — CID 110873293

IUPAC4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C12H21N3O2/c1-3-13(4-2)12(17)14-7-8-15(10-5-6-10)11(16)9-14/h10H,3-9H2,1-2H3
InChIKeyIFZSNBBNPVHBQB-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.75
Rot. Bonds3

About 4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide

4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide (PubChem CID 110873293) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide
PubChem CID110873293
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C2CC2)C(=O)C1
InChIInChI=1S/C12H21N3O2/c1-3-13(4-2)12(17)14-7-8-15(10-5-6-10)11(16)9-14/h10H,3-9H2,1-2H3
InChIKeyIFZSNBBNPVHBQB-UHFFFAOYSA-N
XLogP0.75
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-4-propanoylpiperazin-2-one
CID 110720711
4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 110346149
4-[(2R)-2-aminopropanoyl]-1-cyclopropylpiperazin-2-one
CID 119326508
4-[(2S)-2-aminobutanoyl]-1-cyclopropylpiperazin-2-one;hydrochloride
CID 75495697
1-cyclopropyl-4-(2-phenylpropanoyl)piperazin-2-one
CID 119034196
4-[(2S)-2-cycloheptyloxypropanoyl]-1-cyclopropylpiperazin-2-one
CID 97321014
2-[[(4-cyclopropyl-3-oxopiperazin-1-yl)-(ethylamino)methylidene]amino]-N-propan-2-ylacetamide
CID 119158926
1-cyclopropyl-4-(2-phenylacetyl)piperazin-2-one
CID 110720747
N,N-diethyl-4-[(3S)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazine-1-carboxamide
CID 97344660
N'-[(1-acetylpiperidin-4-yl)methyl]-4-cyclopropyl-N-ethyl-3-oxopiperazine-1-carboximidamide
CID 119157402
1-cyclopropyl-4-propan-2-ylpiperazin-2-one
CID 134166310
2-(4-cyclopropyl-3-oxopiperazin-1-yl)acetic acid
CID 55263569

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide (CID 110873293) is 4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C2CC2)C(=O)C1.
What is the InChIKey of 4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide?
The InChIKey is IFZSNBBNPVHBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-13(4-2)12(17)14-7-8-15(10-5-6-10)11(16)9-14/h10H,3-9H2,1-2H3.
What are the key properties of 4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide?
4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 110873293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).