ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate

C16H21N3O5 — CID 43057131

IUPACethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)NNC(=O)c2ccccc2O)C1
InChIInChI=1S/C16H21N3O5/c1-2-24-16(23)19-9-5-6-11(10-19)14(21)17-18-15(22)12-7-3-4-8-13(12)20/h3-4,7-8,11,20H,2,5-6,9-10H2,1H3,(H,17,21)(H,18,22)
InChIKeyFCJYUBDZJWZKGL-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.02
Rot. Bonds3

About ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate

ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate (PubChem CID 43057131) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
PubChem CID43057131
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Nameethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)NNC(=O)c2ccccc2O)C1
InChIInChI=1S/C16H21N3O5/c1-2-24-16(23)19-9-5-6-11(10-19)14(21)17-18-15(22)12-7-3-4-8-13(12)20/h3-4,7-8,11,20H,2,5-6,9-10H2,1H3,(H,17,21)(H,18,22)
InChIKeyFCJYUBDZJWZKGL-UHFFFAOYSA-N
XLogP1.02
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-hydroxybenzoyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 46556792
(3R)-3-[[(2-chlorobenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 8870376
tert-butyl 3-[[(2-fluorobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 166104055
ethyl (3R)-3-[(1-benzoylpiperidin-4-yl)carbamoyl]piperidine-1-carboxylate
CID 51725856
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
ethyl (3S)-3-[[(1S,2R)-2-phenylcyclobutyl]carbamoyl]piperidine-1-carboxylate
CID 97100234
benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
CID 67778403
ethyl 3-[(2,3-difluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 60596637
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
methyl (3S)-3-[[4-(ethoxycarbonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95593872
ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 134048726

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate (CID 43057131) is ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)NNC(=O)c2ccccc2O)C1.
What is the InChIKey of ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
The InChIKey is FCJYUBDZJWZKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-2-24-16(23)19-9-5-6-11(10-19)14(21)17-18-15(22)12-7-3-4-8-13(12)20/h3-4,7-8,11,20H,2,5-6,9-10H2,1H3,(H,17,21)(H,18,22).
What are the key properties of ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate?
ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(2-hydroxybenzoyl)amino]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 43057131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).