benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate

C20H22FN3O3 — CID 114280143

IUPACbenzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate
SMILESNC(=O)c1ccc(F)c(NC2CCN(C(=O)OCc3ccccc3)CC2)c1
InChIInChI=1S/C20H22FN3O3/c21-17-7-6-15(19(22)25)12-18(17)23-16-8-10-24(11-9-16)20(26)27-13-14-4-2-1-3-5-14/h1-7,12,16,23H,8-11,13H2,(H2,22,25)
InChIKeyKHDBRCQANDCZCN-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.14
Rot. Bonds5

About benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate

benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate (PubChem CID 114280143) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate
PubChem CID114280143
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Namebenzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate
SMILESNC(=O)c1ccc(F)c(NC2CCN(C(=O)OCc3ccccc3)CC2)c1
InChIInChI=1S/C20H22FN3O3/c21-17-7-6-15(19(22)25)12-18(17)23-16-8-10-24(11-9-16)20(26)27-13-14-4-2-1-3-5-14/h1-7,12,16,23H,8-11,13H2,(H2,22,25)
InChIKeyKHDBRCQANDCZCN-UHFFFAOYSA-N
XLogP3.14
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-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

benzyl 4-(4-carbamoylphenyl)piperidine-1-carboxylate
CID 146167876
2-[5-methoxycarbonyl-2-[(1-phenylmethoxycarbonylpiperidin-4-yl)amino]phenyl]propanedioic acid
CID 69043234
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
benzyl 4-[3-(difluoromethoxy)anilino]piperidine-1-carboxylate
CID 114280142
benzyl (3R)-3-anilinopyrrolidine-1-carboxylate
CID 171854263
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[[4-(trifluoromethyl)benzoyl]amino]piperidine-1-carboxylate
CID 108563054
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(3,4-difluoroanilino)piperidine-1-carboxylate;benzyl 2-iodo-4-oxopiperidine-1-carboxylate
CID 68733292
benzyl 4-[[4-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate;hydrochloride
CID 165436550

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate (CID 114280143) is benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate is NC(=O)c1ccc(F)c(NC2CCN(C(=O)OCc3ccccc3)CC2)c1.
What is the InChIKey of benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate?
The InChIKey is KHDBRCQANDCZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c21-17-7-6-15(19(22)25)12-18(17)23-16-8-10-24(11-9-16)20(26)27-13-14-4-2-1-3-5-14/h1-7,12,16,23H,8-11,13H2,(H2,22,25).
What are the key properties of benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate?
benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate has a molecular weight of 371.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate is sourced from PubChem (CID 114280143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).