tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate

C18H26N2O4 — CID 24513638

IUPACtert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-11-5-6-13(12-20)16(21)19-14-7-9-15(23-4)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,21)
InChIKeyDGCWHQCAROFCNF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.28
Rot. Bonds3

About tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 24513638) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID24513638
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Nametert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-11-5-6-13(12-20)16(21)19-14-7-9-15(23-4)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,21)
InChIKeyDGCWHQCAROFCNF-UHFFFAOYSA-N
XLogP3.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
tert-butyl 3-[(4-butoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554251
tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55960977
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
tert-butyl 3-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554271
tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 51255258
tert-butyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 84555141
tert-butyl (2R)-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797689
tert-butyl 2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2876068
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate (CID 24513638) is tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate is COc1ccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is DGCWHQCAROFCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-11-5-6-13(12-20)16(21)19-14-7-9-15(23-4)10-8-14/h7-10,13H,5-6,11-12H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 24513638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).