trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

C17H30N2O3 — CID 778080

IUPACtrans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CC(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC(C)(C)N1
InChIInChI=1S/C17H30N2O3/c1-16(2)9-11(10-17(3,4)19-16)18-14(20)12-7-5-6-8-13(12)15(21)22/h11-13,19H,5-10H2,1-4H3,(H,18,20)(H,21,22)/t12-,13-/m0/s1
InChIKeyQBTDSHSSSIGVRG-STQMWFEESA-N
MW310.44 g/mol
LogP2.30
Rot. Bonds3

About trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 778080) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID778080
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametrans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CC(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC(C)(C)N1
InChIInChI=1S/C17H30N2O3/c1-16(2)9-11(10-17(3,4)19-16)18-14(20)12-7-5-6-8-13(12)15(21)22/h11-13,19H,5-10H2,1-4H3,(H,18,20)(H,21,22)/t12-,13-/m0/s1
InChIKeyQBTDSHSSSIGVRG-STQMWFEESA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978117
N-(2,2,6,6-tetramethylpiperidin-4-yl)cyclopentanecarboxamide
CID 14697374
cis-(1R,2S)-2-[[(1S,5S)-3,3,5-trimethylcyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124714504
N-cyclohexyl-2,2,6,6-tetramethylpiperidine-4-carboxamide
CID 90092330
cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114093102
cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092749
cis-(1S,2R)-2-[(4-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091666
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106184592
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
trans-(1S,2S)-2-[[(1S,2R)-2-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]cyclohexyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124780718
ethane;N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 178170769
(2,2,6,6-tetramethylpiperidin-4-yl)carbamothioic S-acid
CID 88728332

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 778080) is trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is CC1(C)CC(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)CC(C)(C)N1.
What is the InChIKey of trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is QBTDSHSSSIGVRG-STQMWFEESA-N. The full InChI is InChI=1S/C17H30N2O3/c1-16(2)9-11(10-17(3,4)19-16)18-14(20)12-7-5-6-8-13(12)15(21)22/h11-13,19H,5-10H2,1-4H3,(H,18,20)(H,21,22)/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 310.44 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 778080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).