tert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate

C18H24FN3O4 — CID 66618470

IUPACtert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H24FN3O4/c1-18(2,3)26-17(25)21-20-15(23)13-5-4-10-22(11-13)16(24)12-6-8-14(19)9-7-12/h6-9,13H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyYWMAPBZHYIJZKE-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.23
Rot. Bonds2

About tert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate

tert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate (PubChem CID 66618470) has the molecular formula C18H24FN3O4 and a molecular weight of 365.41 g/mol. Its IUPAC name is tert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate
PubChem CID66618470
Molecular FormulaC18H24FN3O4
Molecular Weight365.41 g/mol
Exact Mass365.18
IUPAC Nametert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate
SMILESCC(C)(C)OC(=O)NNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H24FN3O4/c1-18(2,3)26-17(25)21-20-15(23)13-5-4-10-22(11-13)16(24)12-6-8-14(19)9-7-12/h6-9,13H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,25)
InChIKeyYWMAPBZHYIJZKE-UHFFFAOYSA-N
XLogP2.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(benzoylamino)methyl]tetrahydro-1(2H)-pyridinecarboxylate
CID 2810470
tert-butyl 4-{[(2,4-difluorobenzoyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810467
Tert-butyl 4-{[(4-methylphenyl)formohydrazido]carbonyl}piperidine-1-carboxylate
CID 24789602
tert-butyl 4-{[(4-fluorobenzoyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810466
tert-butyl N-benzyl-N-[[4-(propylaminocarbamoyl)phenyl]methyl]carbamate
CID 155557418
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4789972
Tert-butyl 4-{[(3-methylphenyl)formohydrazido]carbonyl}piperidine-1-carboxylate
CID 24789611
(1-Benzoyl-4-piperidinyl)-carbamic acid 1,1-dimethylethyl ester
CID 2796151
1-benzyl-N'-(4-fluorobenzoyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17718415
Benzoic acid, p-fluoro-, 2-(2-(benzylcarbamoyl)ethyl)hydrazide
CID 15138
tert-butyl N-[(2-amino-2-oxoethyl)-[(E)-4-benzamido-4-oxobut-2-enoyl]amino]carbamate
CID 45483375
tert-butyl N-[[1-(2,4-difluorobenzoyl)pyrrolidin-3-yl]methyl]carbamate
CID 72025498

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate?
The IUPAC name of tert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate (CID 66618470) is tert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate is CC(C)(C)OC(=O)NNC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of tert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate?
The InChIKey is YWMAPBZHYIJZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O4/c1-18(2,3)26-17(25)21-20-15(23)13-5-4-10-22(11-13)16(24)12-6-8-14(19)9-7-12/h6-9,13H,4-5,10-11H2,1-3H3,(H,20,23)(H,21,25).
What are the key properties of tert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate?
tert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate has a molecular weight of 365.41 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(4-fluorobenzoyl)piperidine-3-carbonyl]amino]carbamate is sourced from PubChem (CID 66618470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).