4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide

C15H28N4O2 — CID 60964288

IUPAC4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(C)(N)C2CC2)CC1
InChIInChI=1S/C15H28N4O2/c1-4-17(5-2)14(21)19-10-8-18(9-11-19)13(20)15(3,16)12-6-7-12/h12H,4-11,16H2,1-3H3
InChIKeyIVZOJLXOXBYVOG-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.72
Rot. Bonds4

About 4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide

4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide (PubChem CID 60964288) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
PubChem CID60964288
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(C)(N)C2CC2)CC1
InChIInChI=1S/C15H28N4O2/c1-4-17(5-2)14(21)19-10-8-18(9-11-19)13(20)15(3,16)12-6-7-12/h12H,4-11,16H2,1-3H3
InChIKeyIVZOJLXOXBYVOG-UHFFFAOYSA-N
XLogP0.72
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-amino-2-cyclopropylpropanoyl)piperazin-1-yl]-3-methylbutan-1-one
CID 60946615
2-amino-2-cyclopropyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 55050370
2-amino-2-cyclopropyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 54873596
N,N-diethyl-4-(2-hydroxypropan-2-yl)piperidine-1-carboxamide
CID 20644912
methyl 4-(2-amino-2-cyclopropylpropanoyl)piperazine-1-carboxylate
CID 54916371
2-amino-2-cyclopropyl-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
CID 60867535
(2R)-2-amino-2-cyclopropyl-1-[4-[2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazin-1-yl]propan-1-one
CID 125147380
2-amino-2-cyclopropyl-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 81103870
4-(2,2-dimethylpropanoylamino)-N,N-diethylpiperidine-1-carboxamide
CID 3694430
4-(3-cyclohexylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 108569569
2-amino-2-cyclopropyl-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62942113
4-(3-amino-2-methylpropanoyl)-N,N-diethylpiperazine-1-carboxamide
CID 55104467

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide (CID 60964288) is 4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)C(C)(N)C2CC2)CC1.
What is the InChIKey of 4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is IVZOJLXOXBYVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-4-17(5-2)14(21)19-10-8-18(9-11-19)13(20)15(3,16)12-6-7-12/h12H,4-11,16H2,1-3H3.
What are the key properties of 4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide?
4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-cyclopropylpropanoyl)-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 60964288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).