2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid

C15H27N3O3 — CID 79870364

IUPAC2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCC1(C)CCCCC1NC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-15(2)6-4-3-5-12(15)16-14(21)18-9-7-17(8-10-18)11-13(19)20/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyPLGBHECNVFVCEP-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.37
Rot. Bonds3

About 2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid

2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid (PubChem CID 79870364) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
PubChem CID79870364
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
SMILESCC1(C)CCCCC1NC(=O)N1CCN(CC(=O)O)CC1
InChIInChI=1S/C15H27N3O3/c1-15(2)6-4-3-5-12(15)16-14(21)18-9-7-17(8-10-18)11-13(19)20/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyPLGBHECNVFVCEP-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2,2-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79878279
N-(2,2-dimethylcyclohexyl)morpholine-4-carboxamide
CID 113255358
2-[4-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79350169
1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 79877781
2-[4-[(2-ethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61468395
1-methyl-2-(pyrrolidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83213759
1-[(2,2-dimethylcyclohexyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104598352
4-[2-(dimethylamino)ethyl]-N-[(1S)-2,2-dimethylcyclopentyl]piperidine-1-carboxamide
CID 164642735
1-methyl-2-(piperidine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 83214218
2-(azepane-1-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83213614
2-[4-(2,2-dimethylcyclopentanecarbonyl)-1,4-diazepan-1-yl]acetic acid
CID 107175413
N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111841157

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid (CID 79870364) is 2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid is CC1(C)CCCCC1NC(=O)N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid?
The InChIKey is PLGBHECNVFVCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2)6-4-3-5-12(15)16-14(21)18-9-7-17(8-10-18)11-13(19)20/h12H,3-11H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid?
2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 79870364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).