N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide

C9H19N3O2 — CID 140883898

IUPACN-(4-hydroxybutan-2-yl)piperazine-1-carboxamide
SMILESCC(CCO)NC(=O)N1CCNCC1
InChIInChI=1S/C9H19N3O2/c1-8(2-7-13)11-9(14)12-5-3-10-4-6-12/h8,10,13H,2-7H2,1H3,(H,11,14)
InChIKeyLTDMHMRCFNARDK-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.63
Rot. Bonds3

About N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide

N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide (PubChem CID 140883898) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)piperazine-1-carboxamide
PubChem CID140883898
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-(4-hydroxybutan-2-yl)piperazine-1-carboxamide
SMILESCC(CCO)NC(=O)N1CCNCC1
InChIInChI=1S/C9H19N3O2/c1-8(2-7-13)11-9(14)12-5-3-10-4-6-12/h8,10,13H,2-7H2,1H3,(H,11,14)
InChIKeyLTDMHMRCFNARDK-UHFFFAOYSA-N
XLogP-0.63
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide (CID 140883898) is N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide is CC(CCO)NC(=O)N1CCNCC1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide?
The InChIKey is LTDMHMRCFNARDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-8(2-7-13)11-9(14)12-5-3-10-4-6-12/h8,10,13H,2-7H2,1H3,(H,11,14).
What are the key properties of N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide?
N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide has a molecular weight of 201.27 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 140883898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).