phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate

C18H19N3O3 — CID 110821885

IUPACphenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)Oc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C18H19N3O3/c22-17(14-5-4-10-19-13-14)20-15-8-11-21(12-9-15)18(23)24-16-6-2-1-3-7-16/h1-7,10,13,15H,8-9,11-12H2,(H,20,22)
InChIKeyUQDBPGNFZHWRPK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.47
Rot. Bonds3

About phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate

phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate (PubChem CID 110821885) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
PubChem CID110821885
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Namephenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)Oc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C18H19N3O3/c22-17(14-5-4-10-19-13-14)20-15-8-11-21(12-9-15)18(23)24-16-6-2-1-3-7-16/h1-7,10,13,15H,8-9,11-12H2,(H,20,22)
InChIKeyUQDBPGNFZHWRPK-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate
CID 108562900
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796916
N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47796880
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 127165622
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
N-[1-(2-cyclohexylideneacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 108924958
N-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796963

Frequently Asked Questions

What is the IUPAC name of phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate (CID 110821885) is phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate is O=C(NC1CCN(C(=O)Oc2ccccc2)CC1)c1cccnc1.
What is the InChIKey of phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate?
The InChIKey is UQDBPGNFZHWRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17(14-5-4-10-19-13-14)20-15-8-11-21(12-9-15)18(23)24-16-6-2-1-3-7-16/h1-7,10,13,15H,8-9,11-12H2,(H,20,22).
What are the key properties of phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate?
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 110821885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).