(2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide

C13H25N3O2 — CID 164634771

IUPAC(2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide
SMILESCCC[C@H]1C(=O)NCCN1C(=O)N(CC)C(C)C
InChIInChI=1S/C13H25N3O2/c1-5-7-11-12(17)14-8-9-16(11)13(18)15(6-2)10(3)4/h10-11H,5-9H2,1-4H3,(H,14,17)/t11-/m0/s1
InChIKeyXQTKKNNPELQNJG-NSHDSACASA-N
MW255.36 g/mol
LogP1.44
Rot. Bonds4

About (2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide

(2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide (PubChem CID 164634771) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide
PubChem CID164634771
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide
SMILESCCC[C@H]1C(=O)NCCN1C(=O)N(CC)C(C)C
InChIInChI=1S/C13H25N3O2/c1-5-7-11-12(17)14-8-9-16(11)13(18)15(6-2)10(3)4/h10-11H,5-9H2,1-4H3,(H,14,17)/t11-/m0/s1
InChIKeyXQTKKNNPELQNJG-NSHDSACASA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide?
The IUPAC name of (2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide (CID 164634771) is (2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide?
The canonical SMILES for (2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide is CCC[C@H]1C(=O)NCCN1C(=O)N(CC)C(C)C.
What is the InChIKey of (2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide?
The InChIKey is XQTKKNNPELQNJG-NSHDSACASA-N. The full InChI is InChI=1S/C13H25N3O2/c1-5-7-11-12(17)14-8-9-16(11)13(18)15(6-2)10(3)4/h10-11H,5-9H2,1-4H3,(H,14,17)/t11-/m0/s1.
What are the key properties of (2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide?
(2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-3-oxo-N-propan-2-yl-2-propylpiperazine-1-carboxamide is sourced from PubChem (CID 164634771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).