(2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide

C13H25N5O2 — CID 140563114

IUPAC(2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN[C@@H](C(=O)NC(=O)N2CCNCC2)C1
InChIInChI=1S/C13H25N5O2/c1-10(2)18-8-5-15-11(9-18)12(19)16-13(20)17-6-3-14-4-7-17/h10-11,14-15H,3-9H2,1-2H3,(H,16,19,20)/t11-/m1/s1
InChIKeyYHVWWGWBUVMHSH-LLVKDONJSA-N
MW283.38 g/mol
LogP-1.19
Rot. Bonds2

About (2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide

(2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide (PubChem CID 140563114) has the molecular formula C13H25N5O2 and a molecular weight of 283.38 g/mol. Its IUPAC name is (2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide
PubChem CID140563114
Molecular FormulaC13H25N5O2
Molecular Weight283.38 g/mol
Exact Mass283.20
IUPAC Name(2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN[C@@H](C(=O)NC(=O)N2CCNCC2)C1
InChIInChI=1S/C13H25N5O2/c1-10(2)18-8-5-15-11(9-18)12(19)16-13(20)17-6-3-14-4-7-17/h10-11,14-15H,3-9H2,1-2H3,(H,16,19,20)/t11-/m1/s1
InChIKeyYHVWWGWBUVMHSH-LLVKDONJSA-N
XLogP-1.19
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of (2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide (CID 140563114) is (2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide is CC(C)N1CCN[C@@H](C(=O)NC(=O)N2CCNCC2)C1.
What is the InChIKey of (2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is YHVWWGWBUVMHSH-LLVKDONJSA-N. The full InChI is InChI=1S/C13H25N5O2/c1-10(2)18-8-5-15-11(9-18)12(19)16-13(20)17-6-3-14-4-7-17/h10-11,14-15H,3-9H2,1-2H3,(H,16,19,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide?
(2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(piperazine-1-carbonyl)-4-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 140563114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).