phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate

C18H24N2O3 — CID 141023786

IUPACphenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H24N2O3/c21-17(19-11-5-2-6-12-19)15-9-13-20(14-10-15)18(22)23-16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2
InChIKeyAGBZONGVPGYZKX-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.91
Rot. Bonds2

About phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate

phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 141023786) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
PubChem CID141023786
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namephenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H24N2O3/c21-17(19-11-5-2-6-12-19)15-9-13-20(14-10-15)18(22)23-16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2
InChIKeyAGBZONGVPGYZKX-UHFFFAOYSA-N
XLogP2.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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phenyl 4-phenoxypiperidine-1-carboxylate
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CID 154858593
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
phenyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60746156
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate (CID 141023786) is phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate is O=C(Oc1ccccc1)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is AGBZONGVPGYZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17(19-11-5-2-6-12-19)15-9-13-20(14-10-15)18(22)23-16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2.
What are the key properties of phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate?
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 141023786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).