methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate

C29H30FN3O4 — CID 171685110

IUPACmethyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(C(=O)N2CCC(c3ccc(NC(=O)CCc4ccccc4F)cc3)CC2)c1
InChIInChI=1S/C29H30FN3O4/c1-37-29(36)32-25-7-4-6-23(19-25)28(35)33-17-15-21(16-18-33)20-9-12-24(13-10-20)31-27(34)14-11-22-5-2-3-8-26(22)30/h2-10,12-13,19,21H,11,14-18H2,1H3,(H,31,34)(H,32,36)
InChIKeyRZZIZYSAWRAFJV-UHFFFAOYSA-N
MW503.57 g/mol
LogP5.60
Rot. Bonds7

About methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate

methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate (PubChem CID 171685110) has the molecular formula C29H30FN3O4 and a molecular weight of 503.57 g/mol. Its IUPAC name is methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate
PubChem CID171685110
Molecular FormulaC29H30FN3O4
Molecular Weight503.57 g/mol
Exact Mass503.22
IUPAC Namemethyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(C(=O)N2CCC(c3ccc(NC(=O)CCc4ccccc4F)cc3)CC2)c1
InChIInChI=1S/C29H30FN3O4/c1-37-29(36)32-25-7-4-6-23(19-25)28(35)33-17-15-21(16-18-33)20-9-12-24(13-10-20)31-27(34)14-11-22-5-2-3-8-26(22)30/h2-10,12-13,19,21H,11,14-18H2,1H3,(H,31,34)(H,32,36)
InChIKeyRZZIZYSAWRAFJV-UHFFFAOYSA-N
XLogP5.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.57
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate with MolForge

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Related Compounds

3-(2-fluorophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide
CID 55862325
N-[4-[1-(2,6-difluoro-4-methoxybenzoyl)piperidin-4-yl]phenyl]-3-(6-methoxy-2-pyridinyl)propanamide
CID 171683561
ethyl 3-[3-(2-fluorophenyl)propanoylamino]benzoate
CID 9228364
[3-[4-[[3-(2-fluorophenyl)propanoylamino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927294
3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 26158318
1-[3-(2,2-dimethylpropanoylamino)benzoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55779153
N-[4-[1-(3-ethoxy-2,4,5-trifluorobenzoyl)piperidin-4-yl]phenyl]-3-(2-methyl-3-pyridinyl)propanamide
CID 171685778
3-(2-aminophenyl)-N-[3-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 120609510
benzyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]phenyl]carbamate
CID 24988181
N-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 41266031
methyl 4-[2-[4-[1-[2-(2,3-difluorophenyl)acetyl]piperidin-4-yl]anilino]-2-oxoethoxy]benzoate
CID 171683477
4-(2-fluorophenyl)-4-oxo-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 110624077

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate?
The IUPAC name of methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate (CID 171685110) is methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate is COC(=O)Nc1cccc(C(=O)N2CCC(c3ccc(NC(=O)CCc4ccccc4F)cc3)CC2)c1.
What is the InChIKey of methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate?
The InChIKey is RZZIZYSAWRAFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O4/c1-37-29(36)32-25-7-4-6-23(19-25)28(35)33-17-15-21(16-18-33)20-9-12-24(13-10-20)31-27(34)14-11-22-5-2-3-8-26(22)30/h2-10,12-13,19,21H,11,14-18H2,1H3,(H,31,34)(H,32,36).
What are the key properties of methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate?
methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate has a molecular weight of 503.57 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-[4-[3-(2-fluorophenyl)propanoylamino]phenyl]piperidine-1-carbonyl]phenyl]carbamate is sourced from PubChem (CID 171685110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).