1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide

C11H21N3O2 — CID 70110667

IUPAC1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide
SMILESNC(=O)C1(O)CCCCC1N1CCNCC1
InChIInChI=1S/C11H21N3O2/c12-10(15)11(16)4-2-1-3-9(11)14-7-5-13-6-8-14/h9,13,16H,1-8H2,(H2,12,15)
InChIKeyOOTVGAAAQSPIGY-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.95
Rot. Bonds2

About 1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide

1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide (PubChem CID 70110667) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide
PubChem CID70110667
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide
SMILESNC(=O)C1(O)CCCCC1N1CCNCC1
InChIInChI=1S/C11H21N3O2/c12-10(15)11(16)4-2-1-3-9(11)14-7-5-13-6-8-14/h9,13,16H,1-8H2,(H2,12,15)
InChIKeyOOTVGAAAQSPIGY-UHFFFAOYSA-N
XLogP-0.95
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide (CID 70110667) is 1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide is NC(=O)C1(O)CCCCC1N1CCNCC1.
What is the InChIKey of 1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide?
The InChIKey is OOTVGAAAQSPIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-10(15)11(16)4-2-1-3-9(11)14-7-5-13-6-8-14/h9,13,16H,1-8H2,(H2,12,15).
What are the key properties of 1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide?
1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-piperazin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 70110667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).