ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate

C22H25FN2O4 — CID 32964503

IUPACethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C22H25FN2O4/c1-2-28-22(27)25-12-10-19(11-13-25)24-21(26)17-4-3-5-20(14-17)29-15-16-6-8-18(23)9-7-16/h3-9,14,19H,2,10-13,15H2,1H3,(H,24,26)
InChIKeyKGEIUMHERSFUDV-UHFFFAOYSA-N
MW400.45 g/mol
LogP3.76
Rot. Bonds6

About ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate

ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate (PubChem CID 32964503) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
PubChem CID32964503
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Nameethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1
InChIInChI=1S/C22H25FN2O4/c1-2-28-22(27)25-12-10-19(11-13-25)24-21(26)17-4-3-5-20(14-17)29-15-16-6-8-18(23)9-7-16/h3-9,14,19H,2,10-13,15H2,1H3,(H,24,26)
InChIKeyKGEIUMHERSFUDV-UHFFFAOYSA-N
XLogP3.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51110016
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-phenylmethoxybenzamide
CID 112804050
N-[4-(cyclopropylcarbamoyl)phenyl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 46553769
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[(4-fluorophenyl)methoxy]benzamide
CID 51925377
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide
CID 108557500
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
ethyl 4-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]piperidine-1-carboxylate
CID 109000410
ethyl 4-[[N'-methyl-N-[(3-phenylmethoxyphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111329582

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate (CID 32964503) is ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)CC1.
What is the InChIKey of ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is KGEIUMHERSFUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-2-28-22(27)25-12-10-19(11-13-25)24-21(26)17-4-3-5-20(14-17)29-15-16-6-8-18(23)9-7-16/h3-9,14,19H,2,10-13,15H2,1H3,(H,24,26).
What are the key properties of ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 400.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-[(4-fluorophenyl)methoxy]benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 32964503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).