benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate

C22H25NO3 — CID 18187454

IUPACbenzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate
SMILESO=C(CCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H25NO3/c24-21(20-9-5-2-6-10-20)12-11-18-13-15-23(16-14-18)22(25)26-17-19-7-3-1-4-8-19/h1-10,18H,11-17H2
InChIKeyDYMWAMNRDDFLKZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.70
Rot. Bonds6

About benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate

benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate (PubChem CID 18187454) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate
PubChem CID18187454
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Namebenzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate
SMILESO=C(CCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H25NO3/c24-21(20-9-5-2-6-10-20)12-11-18-13-15-23(16-14-18)22(25)26-17-19-7-3-1-4-8-19/h1-10,18H,11-17H2
InChIKeyDYMWAMNRDDFLKZ-UHFFFAOYSA-N
XLogP4.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-(3-hydrazinyl-3-oxopropyl)piperidine-1-carboxylate
CID 11335745
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 4-(3-aminosulfanyl-3-oxopropyl)piperidine-1-carboxylate
CID 18969275
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191
benzyl 4-(5-bromopentyl)piperidine-1-carboxylate
CID 58306239
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[2-(2-cyclohexylethyldisulfanyl)ethyl]piperidine-1-carboxylate
CID 167631664
benzyl 4-(2-benzylsulfonylethyl)piperidine-1-carboxylate
CID 171485073
benzyl 4-(2-acetylsulfanylethyl)piperidine-1-carboxylate
CID 146241929
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[2-(iodomethylsulfonyl)ethyl]piperidine-1-carboxylate
CID 89324891

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate (CID 18187454) is benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate is O=C(CCC1CCN(C(=O)OCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate?
The InChIKey is DYMWAMNRDDFLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-21(20-9-5-2-6-10-20)12-11-18-13-15-23(16-14-18)22(25)26-17-19-7-3-1-4-8-19/h1-10,18H,11-17H2.
What are the key properties of benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate?
benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(3-oxo-3-phenylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 18187454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).