N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide

C24H28FN3O3 — CID 56566216

IUPACN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)N(C)C(C(N)=O)c3cccc(F)c3)C2)c1
InChIInChI=1S/C24H28FN3O3/c1-15-10-16(2)12-19(11-15)24(31)28-9-5-7-18(14-28)23(30)27(3)21(22(26)29)17-6-4-8-20(25)13-17/h4,6,8,10-13,18,21H,5,7,9,14H2,1-3H3,(H2,26,29)
InChIKeyJIMKJSOPELTBBE-UHFFFAOYSA-N
MW425.50 g/mol
LogP2.98
Rot. Bonds5

About N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide

N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 56566216) 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]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide
PubChem CID56566216
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC NameN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)N(C)C(C(N)=O)c3cccc(F)c3)C2)c1
InChIInChI=1S/C24H28FN3O3/c1-15-10-16(2)12-19(11-15)24(31)28-9-5-7-18(14-28)23(30)27(3)21(22(26)29)17-6-4-8-20(25)13-17/h4,6,8,10-13,18,21H,5,7,9,14H2,1-3H3,(H2,26,29)
InChIKeyJIMKJSOPELTBBE-UHFFFAOYSA-N
XLogP2.98
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 56566560
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55787308
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-N-methyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 56566659
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-4-butyl-N-methylcyclohexane-1-carboxamide
CID 56569745
N-(3-amino-4-methylpentyl)-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119657976
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 55790309
(4-fluorophenyl)-[1-(3-methylbenzoyl)piperidin-3-yl]methanone
CID 110394780
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55792197
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide (CID 56566216) is N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)N(C)C(C(N)=O)c3cccc(F)c3)C2)c1.
What is the InChIKey of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is JIMKJSOPELTBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-15-10-16(2)12-19(11-15)24(31)28-9-5-7-18(14-28)23(30)27(3)21(22(26)29)17-6-4-8-20(25)13-17/h4,6,8,10-13,18,21H,5,7,9,14H2,1-3H3,(H2,26,29).
What are the key properties of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide?
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 2.98, 5 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]-1-(3,5-dimethylbenzoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 56566216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).