4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide

C33H32F2N4O2 — CID 19771987

IUPAC4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(c2ccc(F)cc2)N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C33H32F2N4O2/c34-27-15-11-24(12-16-27)23-39(33(41)37-30-9-5-2-6-10-30)31(25-13-17-28(35)18-14-25)26-19-21-38(22-20-26)32(40)36-29-7-3-1-4-8-29/h1-18,26,31H,19-23H2,(H,36,40)(H,37,41)
InChIKeyAHKIOVQWEFCCMH-UHFFFAOYSA-N
MW554.64 g/mol
LogP7.68
Rot. Bonds7

About 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide

4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 19771987) has the molecular formula C33H32F2N4O2 and a molecular weight of 554.64 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide
PubChem CID19771987
Molecular FormulaC33H32F2N4O2
Molecular Weight554.64 g/mol
Exact Mass554.25
IUPAC Name4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(c2ccc(F)cc2)N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C33H32F2N4O2/c34-27-15-11-24(12-16-27)23-39(33(41)37-30-9-5-2-6-10-30)31(25-13-17-28(35)18-14-25)26-19-21-38(22-20-26)32(40)36-29-7-3-1-4-8-29/h1-18,26,31H,19-23H2,(H,36,40)(H,37,41)
InChIKeyAHKIOVQWEFCCMH-UHFFFAOYSA-N
XLogP7.68
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.64
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[bis(4-fluorophenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 166755800
4-[(S)-hydroxy(phenyl)methyl]-N-phenylpiperidine-1-carboxamide
CID 51547304
4-[2-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]ethyl]-N-phenylpiperazine-1-carboxamide
CID 42709554
N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
CID 60819629
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95065481
2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
CID 110601869
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
CID 141100659
3-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-1-(1-phenylethyl)urea
CID 42657009
4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide
CID 46537350
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-[3-(4-fluorophenyl)propanoyl]-N-phenyl-1,4-diazepane-1-carboxamide
CID 110811792

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide (CID 19771987) is 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(C(c2ccc(F)cc2)N(Cc2ccc(F)cc2)C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is AHKIOVQWEFCCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F2N4O2/c34-27-15-11-24(12-16-27)23-39(33(41)37-30-9-5-2-6-10-30)31(25-13-17-28(35)18-14-25)26-19-21-38(22-20-26)32(40)36-29-7-3-1-4-8-29/h1-18,26,31H,19-23H2,(H,36,40)(H,37,41).
What are the key properties of 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide?
4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 554.64 g/mol, XLogP of 7.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-[(4-fluorophenyl)methyl-(phenylcarbamoyl)amino]methyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 19771987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).