4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide

C25H32FN5O3 — CID 46537350

IUPAC4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H32FN5O3/c1-2-6-22(30-24(33)27-17-18-9-11-19(26)12-10-18)23(32)28-21-13-15-31(16-14-21)25(34)29-20-7-4-3-5-8-20/h3-5,7-12,21-22H,2,6,13-17H2,1H3,(H,28,32)(H,29,34)(H2,27,30,33)
InChIKeyZVWFZKIYMMZGFW-UHFFFAOYSA-N
MW469.56 g/mol
LogP3.61
Rot. Bonds8

About 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide

4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide (PubChem CID 46537350) has the molecular formula C25H32FN5O3 and a molecular weight of 469.56 g/mol. Its IUPAC name is 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide
PubChem CID46537350
Molecular FormulaC25H32FN5O3
Molecular Weight469.56 g/mol
Exact Mass469.25
IUPAC Name4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide
SMILESCCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H32FN5O3/c1-2-6-22(30-24(33)27-17-18-9-11-19(26)12-10-18)23(32)28-21-13-15-31(16-14-21)25(34)29-20-7-4-3-5-8-20/h3-5,7-12,21-22H,2,6,13-17H2,1H3,(H,28,32)(H,29,34)(H2,27,30,33)
InChIKeyZVWFZKIYMMZGFW-UHFFFAOYSA-N
XLogP3.61
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24640357
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methylpiperidin-4-yl)pentanamide
CID 120602332
1-[(4-fluorophenyl)methyl]-3-[1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]urea
CID 42933803
1-[(4-fluorophenyl)methyl]-3-[1-oxo-1-(4-phenylpiperazin-1-yl)pentan-2-yl]urea
CID 42883941
1-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]-3-[(4-fluorophenyl)methyl]urea;hydrochloride
CID 119647170
1-[(4-fluorophenyl)methyl]-3-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]urea;hydrochloride
CID 119541243
4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 6487275
4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 7407157
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24678029
2-[(4-fluorophenyl)methylcarbamoylamino]-N-phenylmethoxypentanamide
CID 51323356
N-(2-acetamidoethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 134057507
N-(2-amino-1-cyclopropylethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide;hydrochloride
CID 119616288

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide (CID 46537350) is 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide is CCCC(NC(=O)NCc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is ZVWFZKIYMMZGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN5O3/c1-2-6-22(30-24(33)27-17-18-9-11-19(26)12-10-18)23(32)28-21-13-15-31(16-14-21)25(34)29-20-7-4-3-5-8-20/h3-5,7-12,21-22H,2,6,13-17H2,1H3,(H,28,32)(H,29,34)(H2,27,30,33).
What are the key properties of 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide?
4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 3.61, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-fluorophenyl)methylcarbamoylamino]pentanoylamino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46537350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).