3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide

C22H27FN4O2 — CID 119439381

IUPAC3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESCCNCc1ccccc1NC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C22H27FN4O2/c1-2-24-14-16-8-3-5-11-19(16)25-21(28)17-9-7-13-27(15-17)22(29)26-20-12-6-4-10-18(20)23/h3-6,8,10-12,17,24H,2,7,9,13-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyQAONASDRSVZEPO-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.82
Rot. Bonds6

About 3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide

3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide (PubChem CID 119439381) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
PubChem CID119439381
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESCCNCc1ccccc1NC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C22H27FN4O2/c1-2-24-14-16-8-3-5-11-19(16)25-21(28)17-9-7-13-27(15-17)22(29)26-20-12-6-4-10-18(20)23/h3-6,8,10-12,17,24H,2,7,9,13-15H2,1H3,(H,25,28)(H,26,29)
InChIKeyQAONASDRSVZEPO-UHFFFAOYSA-N
XLogP3.82
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119439295
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686700
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
3-N-(2-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921211
N-[2-(ethylaminomethyl)phenyl]-1-methylpyrrolidine-3-carboxamide
CID 54938600
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid
CID 119350889
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
4-[[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353294
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide (CID 119439381) is 3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide is CCNCc1ccccc1NC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1.
What is the InChIKey of 3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide?
The InChIKey is QAONASDRSVZEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-2-24-14-16-8-3-5-11-19(16)25-21(28)17-9-7-13-27(15-17)22(29)26-20-12-6-4-10-18(20)23/h3-6,8,10-12,17,24H,2,7,9,13-15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide?
3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 119439381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).