tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate

C19H28N2O3 — CID 31263103

IUPACtert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCCc1ccccc1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H28N2O3/c1-5-14-9-6-7-11-16(14)20-17(22)15-10-8-12-21(13-15)18(23)24-19(2,3)4/h6-7,9,11,15H,5,8,10,12-13H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyMTBSBVGPRQUJQH-HNNXBMFYSA-N
MW332.44 g/mol
LogP3.83
Rot. Bonds3

About tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate

tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 31263103) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID31263103
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCCc1ccccc1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H28N2O3/c1-5-14-9-6-7-11-16(14)20-17(22)15-10-8-12-21(13-15)18(23)24-19(2,3)4/h6-7,9,11,15H,5,8,10,12-13H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyMTBSBVGPRQUJQH-HNNXBMFYSA-N
XLogP3.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[[2-(2-ethylanilino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
CID 24512754
methyl (3S)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294336
methyl (3R)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95294338
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
tert-butyl 3-[(2-hydroxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84555372
(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686700
tert-butyl 3-[[4-(diethylamino)-2-methylphenyl]carbamoyl]piperidine-1-carboxylate
CID 84554748
tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55960977
tert-butyl 3-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554272
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554291

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate (CID 31263103) is tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate is CCc1ccccc1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is MTBSBVGPRQUJQH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-14-9-6-7-11-16(14)20-17(22)15-10-8-12-21(13-15)18(23)24-19(2,3)4/h6-7,9,11,15H,5,8,10,12-13H2,1-4H3,(H,20,22)/t15-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 31263103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).