N-butan-2-yl-3-oxopiperazine-1-carboxamide

C9H17N3O2 — CID 53017574

IUPACN-butan-2-yl-3-oxopiperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCNC(=O)C1
InChIInChI=1S/C9H17N3O2/c1-3-7(2)11-9(14)12-5-4-10-8(13)6-12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyLYMPQFCBWSPNLC-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.07
Rot. Bonds2

About N-butan-2-yl-3-oxopiperazine-1-carboxamide

N-butan-2-yl-3-oxopiperazine-1-carboxamide (PubChem CID 53017574) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-butan-2-yl-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-oxopiperazine-1-carboxamide
PubChem CID53017574
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-butan-2-yl-3-oxopiperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCNC(=O)C1
InChIInChI=1S/C9H17N3O2/c1-3-7(2)11-9(14)12-5-4-10-8(13)6-12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyLYMPQFCBWSPNLC-UHFFFAOYSA-N
XLogP-0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-oxopiperazine-1-carboxamide?
The IUPAC name of N-butan-2-yl-3-oxopiperazine-1-carboxamide (CID 53017574) is N-butan-2-yl-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-oxopiperazine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-3-oxopiperazine-1-carboxamide is CCC(C)NC(=O)N1CCNC(=O)C1.
What is the InChIKey of N-butan-2-yl-3-oxopiperazine-1-carboxamide?
The InChIKey is LYMPQFCBWSPNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-3-7(2)11-9(14)12-5-4-10-8(13)6-12/h7H,3-6H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of N-butan-2-yl-3-oxopiperazine-1-carboxamide?
N-butan-2-yl-3-oxopiperazine-1-carboxamide has a molecular weight of 199.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 53017574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).