N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide

C28H30FN3O2 — CID 55838548

IUPACN-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide
SMILESO=C(CCN1CCC(C(=O)NCc2ccc(F)cc2)CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C28H30FN3O2/c29-24-12-10-21(11-13-24)20-30-28(34)23-14-17-32(18-15-23)19-16-27(33)31-26-9-5-4-8-25(26)22-6-2-1-3-7-22/h1-13,23H,14-20H2,(H,30,34)(H,31,33)
InChIKeyVCRZYXPSPGBDRV-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.85
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide (PubChem CID 55838548) has the molecular formula C28H30FN3O2 and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide
PubChem CID55838548
Molecular FormulaC28H30FN3O2
Molecular Weight459.57 g/mol
Exact Mass459.23
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide
SMILESO=C(CCN1CCC(C(=O)NCc2ccc(F)cc2)CC1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C28H30FN3O2/c29-24-12-10-21(11-13-24)20-30-28(34)23-14-17-32(18-15-23)19-16-27(33)31-26-9-5-4-8-25(26)22-6-2-1-3-7-22/h1-13,23H,14-20H2,(H,30,34)(H,31,33)
InChIKeyVCRZYXPSPGBDRV-UHFFFAOYSA-N
XLogP4.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910281
1-[3-(cyclopentylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 51124193
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
[1-[3-oxo-3-[4-[[4-(propylcarbamoyl)piperidin-1-yl]methyl]anilino]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11250610
[1-[2-[[4-[(cyclopropanecarbonylamino)methyl]benzoyl]-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 15984840
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37176954
N-benzyl-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
CID 24589298
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
[1-[3-[4-[[(2-fluorophenyl)sulfonylamino]methyl]anilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 15984594
3-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenylphenyl)propanamide
CID 30099813
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide (CID 55838548) is N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide is O=C(CCN1CCC(C(=O)NCc2ccc(F)cc2)CC1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide?
The InChIKey is VCRZYXPSPGBDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O2/c29-24-12-10-21(11-13-24)20-30-28(34)23-14-17-32(18-15-23)19-16-27(33)31-26-9-5-4-8-25(26)22-6-2-1-3-7-22/h1-13,23H,14-20H2,(H,30,34)(H,31,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[3-oxo-3-(2-phenylanilino)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 55838548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).