ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate

C19H25FN2O3 — CID 24593688

IUPACethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C(=O)NC2CC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN2O3/c1-2-25-19(24)14-9-11-22(12-10-14)17(18(23)21-16-7-8-16)13-3-5-15(20)6-4-13/h3-6,14,16-17H,2,7-12H2,1H3,(H,21,23)
InChIKeyOCBZJVXCPIJQHQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.42
Rot. Bonds6

About ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 24593688) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID24593688
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Nameethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C(=O)NC2CC2)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN2O3/c1-2-25-19(24)14-9-11-22(12-10-14)17(18(23)21-16-7-8-16)13-3-5-15(20)6-4-13/h3-6,14,16-17H,2,7-12H2,1H3,(H,21,23)
InChIKeyOCBZJVXCPIJQHQ-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2568966
CID 2568966
CID 16190619
CID 16190619
CID 444240
CID 444240
CID 3240341
CID 3240341
CID 3767276
CID 3767276
CID 3841622
CID 3841622
CID 9550695
CID 9550695
CID 15995087
CID 15995087
CID 23723487
CID 23723487
CID 56643185
CID 56643185
CID 3840559
CID 3840559
CID 3994011
CID 3994011

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate (CID 24593688) is ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(C(=O)NC2CC2)c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is OCBZJVXCPIJQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-2-25-19(24)14-9-11-22(12-10-14)17(18(23)21-16-7-8-16)13-3-5-15(20)6-4-13/h3-6,14,16-17H,2,7-12H2,1H3,(H,21,23).
What are the key properties of ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 348.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 24593688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).