N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide

C20H28FN3O2 — CID 119287959

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)C3CCCCN3)CC2)cc1F
InChIInChI=1S/C20H28FN3O2/c1-14-5-6-15(12-17(14)21)13-23-19(25)16-7-10-24(11-8-16)20(26)18-4-2-3-9-22-18/h5-6,12,16,18,22H,2-4,7-11,13H2,1H3,(H,23,25)
InChIKeyJREPYRHROUTRHF-UHFFFAOYSA-N
MW361.46 g/mol
LogP2.13
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide

N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide (PubChem CID 119287959) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide
PubChem CID119287959
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)C3CCCCN3)CC2)cc1F
InChIInChI=1S/C20H28FN3O2/c1-14-5-6-15(12-17(14)21)13-23-19(25)16-7-10-24(11-8-16)20(26)18-4-2-3-9-22-18/h5-6,12,16,18,22H,2-4,7-11,13H2,1H3,(H,23,25)
InChIKeyJREPYRHROUTRHF-UHFFFAOYSA-N
XLogP2.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-2-carboxamide
CID 93057625
cis-(1S,3R)-3-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065329
cis-methyl (1S,3R)-3-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylate
CID 95781423
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(methylamino)acetyl]piperidine-4-carboxamide
CID 119720842
1-[(2R)-2-aminopropanoyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119287979
1-(3,5-dimethyladamantane-1-carbonyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 112827598
1-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 51950421
N-[(3-fluoro-4-methylphenyl)methyl]-1-[2-(4-sulfamoylphenyl)acetyl]piperidine-4-carboxamide
CID 56553008
N-[(3-fluoro-4-methylphenyl)methyl]-1-(4-methoxypiperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119720853
N-[(3-fluoro-4-methylphenyl)methyl]-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidine-4-carboxamide
CID 55724707
(2R)-2-[4-[(3-fluoro-4-methylphenyl)methylcarbamoyl]piperidin-1-yl]propanoic acid
CID 124689641
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-methylsulfonylbenzoyl)piperidine-4-carboxamide
CID 55964211

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide (CID 119287959) is N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(C(=O)C3CCCCN3)CC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is JREPYRHROUTRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-14-5-6-15(12-17(14)21)13-23-19(25)16-7-10-24(11-8-16)20(26)18-4-2-3-9-22-18/h5-6,12,16,18,22H,2-4,7-11,13H2,1H3,(H,23,25).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide?
N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 361.46 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-1-(piperidine-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 119287959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).