tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate

C22H32N2O3 — CID 24747715

IUPACtert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1(C(=O)N(C)Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C22H32N2O3/c1-6-12-22(19(25)23(5)17-18-10-8-7-9-11-18)13-15-24(16-14-22)20(26)27-21(2,3)4/h6-11H,1,12-17H2,2-5H3
InChIKeyBAYYTJGNNNGTMC-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.24
Rot. Bonds5

About tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate

tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate (PubChem CID 24747715) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate
PubChem CID24747715
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Nametert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1(C(=O)N(C)Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C22H32N2O3/c1-6-12-22(19(25)23(5)17-18-10-8-7-9-11-18)13-15-24(16-14-22)20(26)27-21(2,3)4/h6-11H,1,12-17H2,2-5H3
InChIKeyBAYYTJGNNNGTMC-UHFFFAOYSA-N
XLogP4.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-benzyl-4-[benzyl(trifluoromethyl)carbamoyl]piperidine-1-carboxylate
CID 91126915
tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate
CID 170993454
1-O-tert-butyl 4-O-methyl 4-benzylpiperidine-1,4-dicarboxylate
CID 20664732
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
tert-butyl 4-ethenyl-4-phenylpiperidine-1-carboxylate
CID 25133272
tert-butyl 4-(dimethylcarbamoyl)-4-phenylpiperidine-1-carboxylate
CID 158985906
tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate
CID 71268626
tert-butyl 4-(iodomethyl)-4-phenylmethoxypiperidine-1-carboxylate
CID 104969586
4-but-3-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 53417926
tert-butyl 4-[3-(dibenzylamino)phenyl]-4-fluoropiperidine-1-carboxylate
CID 129320067
tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
CID 118798320

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate (CID 24747715) is tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate is C=CCC1(C(=O)N(C)Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is BAYYTJGNNNGTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-6-12-22(19(25)23(5)17-18-10-8-7-9-11-18)13-15-24(16-14-22)20(26)27-21(2,3)4/h6-11H,1,12-17H2,2-5H3.
What are the key properties of tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate?
tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 372.51 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[benzyl(methyl)carbamoyl]-4-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 24747715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).