ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate

C20H23N3O4 — CID 47990681

IUPACethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(Oc3cccnc3)cc2)CC1
InChIInChI=1S/C20H23N3O4/c1-2-26-20(25)23-12-9-16(10-13-23)22-19(24)15-5-7-17(8-6-15)27-18-4-3-11-21-14-18/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,22,24)
InChIKeyFZPNVOAWDQFZLR-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.22
Rot. Bonds5

About ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate (PubChem CID 47990681) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
PubChem CID47990681
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Nameethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(Oc3cccnc3)cc2)CC1
InChIInChI=1S/C20H23N3O4/c1-2-26-20(25)23-12-9-16(10-13-23)22-19(24)15-5-7-17(8-6-15)27-18-4-3-11-21-14-18/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,22,24)
InChIKeyFZPNVOAWDQFZLR-UHFFFAOYSA-N
XLogP3.22
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836779
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 110706271
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
ethyl 4-[(6-methoxypyridine-3-carbonyl)amino]piperidine-1-carboxylate
CID 31844781
cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677236

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate (CID 47990681) is ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(Oc3cccnc3)cc2)CC1.
What is the InChIKey of ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is FZPNVOAWDQFZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-26-20(25)23-12-9-16(10-13-23)22-19(24)15-5-7-17(8-6-15)27-18-4-3-11-21-14-18/h3-8,11,14,16H,2,9-10,12-13H2,1H3,(H,22,24).
What are the key properties of ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 47990681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).