pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate

C18H19N3O3 — CID 15950844

IUPACpyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)Oc2cccnc2)CC1
InChIInChI=1S/C18H19N3O3/c22-17(20-15-5-2-1-3-6-15)14-8-11-21(12-9-14)18(23)24-16-7-4-10-19-13-16/h1-7,10,13-14H,8-9,11-12H2,(H,20,22)
InChIKeyPLCMZPFTMOAGOE-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.93
Rot. Bonds3

About pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate

pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate (PubChem CID 15950844) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate
PubChem CID15950844
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Namepyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)Oc2cccnc2)CC1
InChIInChI=1S/C18H19N3O3/c22-17(20-15-5-2-1-3-6-15)14-8-11-21(12-9-14)18(23)24-16-7-4-10-19-13-16/h1-7,10,13-14H,8-9,11-12H2,(H,20,22)
InChIKeyPLCMZPFTMOAGOE-UHFFFAOYSA-N
XLogP2.93
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate (CID 15950844) is pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate is O=C(Nc1ccccc1)C1CCN(C(=O)Oc2cccnc2)CC1.
What is the InChIKey of pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is PLCMZPFTMOAGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17(20-15-5-2-1-3-6-15)14-8-11-21(12-9-14)18(23)24-16-7-4-10-19-13-16/h1-7,10,13-14H,8-9,11-12H2,(H,20,22).
What are the key properties of pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate?
pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 4-(phenylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 15950844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).