tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate

C14H26N2O3 — CID 146844151

IUPACtert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate
SMILESCCCC1(C(N)=O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-6-14(11(15)17)7-9-16(10-8-14)12(18)19-13(2,3)4/h5-10H2,1-4H3,(H2,15,17)
InChIKeySGSTUFQOYBJRRM-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.29
Rot. Bonds3

About tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate

tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate (PubChem CID 146844151) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate
PubChem CID146844151
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate
SMILESCCCC1(C(N)=O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-5-6-14(11(15)17)7-9-16(10-8-14)12(18)19-13(2,3)4/h5-10H2,1-4H3,(H2,15,17)
InChIKeySGSTUFQOYBJRRM-UHFFFAOYSA-N
XLogP2.29
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
4-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 165495257
tert-butyl (3R)-3-amino-3-propylpyrrolidine-1-carboxylate
CID 129371675
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
1-O-tert-butyl 4-O-ethyl 4-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxylate
CID 59527747
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
1-O-tert-butyl 4-O-ethyl 4-[2-(methylamino)ethyl]piperidine-1,4-dicarboxylate
CID 58893172
4-(iodomethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylate
CID 139270550
1-O-tert-butyl 4-O-methyl 4-(methoxymethyl)piperidine-1,4-dicarboxylate
CID 118290173
tert-butyl 1,2-dimethyl-6-azaspiro[2.5]octane-6-carboxylate
CID 58482290
tert-butyl 4,4-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 86719232

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate (CID 146844151) is tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate is CCCC1(C(N)=O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate?
The InChIKey is SGSTUFQOYBJRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-6-14(11(15)17)7-9-16(10-8-14)12(18)19-13(2,3)4/h5-10H2,1-4H3,(H2,15,17).
What are the key properties of tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate?
tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-carbamoyl-4-propylpiperidine-1-carboxylate is sourced from PubChem (CID 146844151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).