(2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide

C13H23N3O2 — CID 44535845

IUPAC(2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide
SMILESCC(C)CC(=O)N1CCNC[C@@H]1C(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c1-9(2)7-12(17)16-6-5-14-8-11(16)13(18)15-10-3-4-10/h9-11,14H,3-8H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyAFLUAYHZHQNEAR-LLVKDONJSA-N
MW253.35 g/mol
LogP0.11
Rot. Bonds4

About (2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide

(2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide (PubChem CID 44535845) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide
PubChem CID44535845
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide
SMILESCC(C)CC(=O)N1CCNC[C@@H]1C(=O)NC1CC1
InChIInChI=1S/C13H23N3O2/c1-9(2)7-12(17)16-6-5-14-8-11(16)13(18)15-10-3-4-10/h9-11,14H,3-8H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyAFLUAYHZHQNEAR-LLVKDONJSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide (CID 44535845) is (2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide is CC(C)CC(=O)N1CCNC[C@@H]1C(=O)NC1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide?
The InChIKey is AFLUAYHZHQNEAR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)7-12(17)16-6-5-14-8-11(16)13(18)15-10-3-4-10/h9-11,14H,3-8H2,1-2H3,(H,15,18)/t11-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide?
(2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-1-(3-methylbutanoyl)piperazine-2-carboxamide is sourced from PubChem (CID 44535845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).