tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate

C18H32N2O3 — CID 124750324

IUPACtert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N2O3/c1-13-8-5-6-10-15(13)19-16(21)14-9-7-11-20(12-14)17(22)23-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,21)/t13-,14+,15-/m1/s1
InChIKeyZUCDLNJBZSUMBV-QLFBSQMISA-N
MW324.47 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate

tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 124750324) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate
PubChem CID124750324
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Nametert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate
SMILESC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N2O3/c1-13-8-5-6-10-15(13)19-16(21)14-9-7-11-20(12-14)17(22)23-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,21)/t13-,14+,15-/m1/s1
InChIKeyZUCDLNJBZSUMBV-QLFBSQMISA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 160697119
tert-butyl 4-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]piperazine-1-carboxylate
CID 51476594
tert-butyl 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 20614161
tert-butyl (3S)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51930968
tert-butyl 4-[(2-methylcycloheptyl)amino]azepane-1-carboxylate
CID 103982358
tert-butyl (3R,4S)-3-[(5-chlorocyclononanecarbonyl)amino]-4-methylpyrrolidine-1-carboxylate
CID 156566918
tert-butyl (3R)-3-oxaldehydoylpiperidine-1-carboxylate
CID 171085627
tert-butyl 3-[(4-methylpiperazin-1-yl)carbamoyl]piperidine-1-carboxylate
CID 84556160
tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
CID 43176192
tert-butyl 3-[(cyclobutanecarbonylamino)carbamoyl]azetidine-1-carboxylate
CID 163488927
tert-butyl (3S)-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 95566430
tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
CID 43176190

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate (CID 124750324) is tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate is C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is ZUCDLNJBZSUMBV-QLFBSQMISA-N. The full InChI is InChI=1S/C18H32N2O3/c1-13-8-5-6-10-15(13)19-16(21)14-9-7-11-20(12-14)17(22)23-18(2,3)4/h13-15H,5-12H2,1-4H3,(H,19,21)/t13-,14+,15-/m1/s1.
What are the key properties of tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 324.47 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 124750324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).