tert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate

C21H32N2O4 — CID 152838956

IUPACtert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate
SMILESCOCC(c1ccc(C(N)=O)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H32N2O4/c1-14-12-16(19(22)24)6-7-17(14)18(13-26-5)15-8-10-23(11-9-15)20(25)27-21(2,3)4/h6-7,12,15,18H,8-11,13H2,1-5H3,(H2,22,24)
InChIKeySYGPGQSUMYMBHF-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.47
Rot. Bonds5

About tert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate

tert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate (PubChem CID 152838956) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is tert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate
PubChem CID152838956
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Nametert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate
SMILESCOCC(c1ccc(C(N)=O)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H32N2O4/c1-14-12-16(19(22)24)6-7-17(14)18(13-26-5)15-8-10-23(11-9-15)20(25)27-21(2,3)4/h6-7,12,15,18H,8-11,13H2,1-5H3,(H2,22,24)
InChIKeySYGPGQSUMYMBHF-UHFFFAOYSA-N
XLogP3.47
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[1-(3-chloro-4-fluorophenyl)-2-methoxyethyl]piperidine-1-carboxylate
CID 70916211
tert-butyl 4-[2-hydroxy-1-(4-methylphenyl)ethyl]piperidine-1-carboxylate
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tert-butyl 4-[2-amino-1-(4-propan-2-ylphenyl)ethyl]piperidine-1-carboxylate
CID 112538815
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
CID 175285120
tert-butyl 4-[3-[4-(1-methoxyethyl)-3-methylphenoxy]propyl]piperidine-1-carboxylate
CID 123723111
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
4-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbenzamide
CID 55215528
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
tert-butyl 4-(4-methoxycarbonyl-2-methylphenyl)piperazine-1-carboxylate
CID 67048475
tert-butyl 4-[1-(4-bromophenyl)-2-ethoxy-2-oxoethyl]piperidine-1-carboxylate
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tert-butyl 4-(2-ethoxy-1-iodo-2-oxoethyl)piperidine-1-carboxylate
CID 45357856
tert-butyl 4-(6-carbamoylnaphthalen-1-yl)piperidine-1-carboxylate;5-piperidin-4-ylnaphthalene-2-carboxamide;hydrochloride
CID 162194135

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate (CID 152838956) is tert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate is COCC(c1ccc(C(N)=O)cc1C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate?
The InChIKey is SYGPGQSUMYMBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-14-12-16(19(22)24)6-7-17(14)18(13-26-5)15-8-10-23(11-9-15)20(25)27-21(2,3)4/h6-7,12,15,18H,8-11,13H2,1-5H3,(H2,22,24).
What are the key properties of tert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate?
tert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(4-carbamoyl-2-methylphenyl)-2-methoxyethyl]piperidine-1-carboxylate is sourced from PubChem (CID 152838956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).