N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C24H28FN3O3 — CID 56566659

IUPACN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C24H28FN3O3/c1-27(22(23(26)30)19-8-5-9-20(25)16-19)24(31)18-12-14-28(15-13-18)21(29)11-10-17-6-3-2-4-7-17/h2-9,16,18,22H,10-15H2,1H3,(H2,26,30)
InChIKeyRZNZIDOWDRKBPS-UHFFFAOYSA-N
MW425.50 g/mol
LogP2.68
Rot. Bonds7

About N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 56566659) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID56566659
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC NameN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C24H28FN3O3/c1-27(22(23(26)30)19-8-5-9-20(25)16-19)24(31)18-12-14-28(15-13-18)21(29)11-10-17-6-3-2-4-7-17/h2-9,16,18,22H,10-15H2,1H3,(H2,26,30)
InChIKeyRZNZIDOWDRKBPS-UHFFFAOYSA-N
XLogP2.68
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide
CID 56569745
3-(3-fluorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110887276
ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 110675452
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 56566216
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-4-oxobutanamide
CID 56566530
3-N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 56566560
1-[4-(dimethylamino)-4-(3-fluorophenyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 166689497
1-[3-(4-ethylphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 84514231
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97199895
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 56566659) is N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide is CN(C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)C(C(N)=O)c1cccc(F)c1.
What is the InChIKey of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is RZNZIDOWDRKBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-27(22(23(26)30)19-8-5-9-20(25)16-19)24(31)18-12-14-28(15-13-18)21(29)11-10-17-6-3-2-4-7-17/h2-9,16,18,22H,10-15H2,1H3,(H2,26,30).
What are the key properties of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 56566659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).