2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate

C19H27NO3 — CID 91728658

IUPAC2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C19H27NO3/c1-15(2)14-23-19(22)17-10-12-20(13-11-17)18(21)9-8-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3
InChIKeyQZOKKULQUBMAQY-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.06
Rot. Bonds6

About 2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate

2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate (PubChem CID 91728658) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
PubChem CID91728658
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)COC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C19H27NO3/c1-15(2)14-23-19(22)17-10-12-20(13-11-17)18(21)9-8-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3
InChIKeyQZOKKULQUBMAQY-UHFFFAOYSA-N
XLogP3.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 47078732
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
(3-methyl-1-benzofuran-2-yl)methyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 86953805
ethyl 1-[3-(4-iodophenyl)propanoyl]piperidine-4-carboxylate
CID 71514462
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
CID 46411072
ethyl 1-[3-[4-(2-phenylethylsulfamoyl)phenyl]propanoyl]piperidine-4-carboxylate
CID 126256730
ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 110675452
benzyl 1-propanoylpiperidine-4-carboxylate
CID 59047382

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of 2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate (CID 91728658) is 2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for 2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate is CC(C)COC(=O)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
The InChIKey is QZOKKULQUBMAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-15(2)14-23-19(22)17-10-12-20(13-11-17)18(21)9-8-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3.
What are the key properties of 2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate?
2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 91728658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).