tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate

C19H32N2O3 — CID 31327704

IUPACtert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C19H32N2O3/c1-19(2,3)24-18(23)21-13-7-10-16(14-21)17(22)20-12-11-15-8-5-4-6-9-15/h8,16H,4-7,9-14H2,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyKBFINRGXKMGTMR-MRXNPFEDSA-N
MW336.48 g/mol
LogP3.64
Rot. Bonds4

About tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 31327704) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID31327704
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Nametert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C19H32N2O3/c1-19(2,3)24-18(23)21-13-7-10-16(14-21)17(22)20-12-11-15-8-5-4-6-9-15/h8,16H,4-7,9-14H2,1-3H3,(H,20,22)/t16-/m1/s1
InChIKeyKBFINRGXKMGTMR-MRXNPFEDSA-N
XLogP3.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[2-(2-oxoazepan-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 55688927
tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
CID 43176192
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
CID 43176190
tert-butyl 3-[2-(2-bromo-4,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 24551284
(3S)-N-[2-(cyclohexen-1-yl)ethyl]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42395265
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 75414050
(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082712
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146208
tert-butyl 2-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 106636503
tert-butyl 3-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 75478447
tert-butyl 3-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 18116301

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate (CID 31327704) is tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCCC2=CCCCC2)C1.
What is the InChIKey of tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is KBFINRGXKMGTMR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-19(2,3)24-18(23)21-13-7-10-16(14-21)17(22)20-12-11-15-8-5-4-6-9-15/h8,16H,4-7,9-14H2,1-3H3,(H,20,22)/t16-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 336.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 31327704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).