2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid

C17H30N2O4 — CID 58786485

IUPAC2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(C(=O)O)C2CCCCC2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-11-9-18(10-12-19)14(15(20)21)13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H,20,21)
InChIKeyCNJTUIUJKNRYQR-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.57
Rot. Bonds3

About 2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid

2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid (PubChem CID 58786485) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
PubChem CID58786485
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCN(C(C(=O)O)C2CCCCC2)CC1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-11-9-18(10-12-19)14(15(20)21)13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H,20,21)
InChIKeyCNJTUIUJKNRYQR-UHFFFAOYSA-N
XLogP2.57
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(1-cycloheptyl-2-oxoethyl)piperazine-1-carboxylate
CID 58786584
tert-butyl 4-[(2E)-1-cyclohexyl-2-hydroxyiminoethyl]piperazine-1-carboxylate
CID 58786427
2-cyclohexyl-2-pyrrolidin-1-ylacetic acid
CID 43803517
tert-butyl 4-[1-cyclohexyl-2-(dipropylamino)ethyl]piperazine-1-carboxylate
CID 58780655
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
tert-butyl 4-(2-acetamido-2-cyclohexylacetyl)piperazine-1-carboxylate
CID 145446627
tert-butyl 4-[1-cyclohexyl-2-(methanesulfonamido)ethyl]piperazine-1-carboxylate
CID 58780616
4-[(1R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]piperazine-1-carboxylic acid
CID 170432681
tert-butyl 4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxylate
CID 81389556
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 5-(1-aminoethyl)azocane-1-carboxylate
CID 166746033
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid (CID 58786485) is 2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid is CC(C)(C)OC(=O)N1CCN(C(C(=O)O)C2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid?
The InChIKey is CNJTUIUJKNRYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)19-11-9-18(10-12-19)14(15(20)21)13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H,20,21).
What are the key properties of 2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid?
2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid has a molecular weight of 326.44 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 58786485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).