phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate

C19H20N2O5 — CID 108562900

IUPACphenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)Oc2ccccc2)CC1)c1cc(O)cc(O)c1
InChIInChI=1S/C19H20N2O5/c22-15-10-13(11-16(23)12-15)18(24)20-14-6-8-21(9-7-14)19(25)26-17-4-2-1-3-5-17/h1-5,10-12,14,22-23H,6-9H2,(H,20,24)
InChIKeyPNCNJIVZYDJKBC-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.49
Rot. Bonds3

About phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate

phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate (PubChem CID 108562900) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate
PubChem CID108562900
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namephenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate
SMILESO=C(NC1CCN(C(=O)Oc2ccccc2)CC1)c1cc(O)cc(O)c1
InChIInChI=1S/C19H20N2O5/c22-15-10-13(11-16(23)12-15)18(24)20-14-6-8-21(9-7-14)19(25)26-17-4-2-1-3-5-17/h1-5,10-12,14,22-23H,6-9H2,(H,20,24)
InChIKeyPNCNJIVZYDJKBC-UHFFFAOYSA-N
XLogP2.49
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885
phenyl 4-[(2,2-dicyclohexylacetyl)amino]piperidine-1-carboxylate
CID 142651449
phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108560540
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551443
N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558150
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate
CID 86841438
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate (CID 108562900) is phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate is O=C(NC1CCN(C(=O)Oc2ccccc2)CC1)c1cc(O)cc(O)c1.
What is the InChIKey of phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is PNCNJIVZYDJKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c22-15-10-13(11-16(23)12-15)18(24)20-14-6-8-21(9-7-14)19(25)26-17-4-2-1-3-5-17/h1-5,10-12,14,22-23H,6-9H2,(H,20,24).
What are the key properties of phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate?
phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[(3,5-dihydroxybenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108562900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).