4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide

C20H30FN3O — CID 46366168

IUPAC4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCC1CC(C)CN(CC2CCN(C(=O)Nc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H30FN3O/c1-15-11-16(2)13-23(12-15)14-17-7-9-24(10-8-17)20(25)22-19-5-3-18(21)4-6-19/h3-6,15-17H,7-14H2,1-2H3,(H,22,25)
InChIKeyPUMGQWDXGSATSH-UHFFFAOYSA-N
MW347.48 g/mol
LogP4.05
Rot. Bonds3

About 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide

4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 46366168) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID46366168
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCC1CC(C)CN(CC2CCN(C(=O)Nc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C20H30FN3O/c1-15-11-16(2)13-23(12-15)14-17-7-9-24(10-8-17)20(25)22-19-5-3-18(21)4-6-19/h3-6,15-17H,7-14H2,1-2H3,(H,22,25)
InChIKeyPUMGQWDXGSATSH-UHFFFAOYSA-N
XLogP4.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 92731351
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 92731331
N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845478
3-(2-aminoethyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 114802239
N-(4-ethylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845437
N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92731340
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366148
3-amino-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 62068743
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 92731401
4-(azepan-1-ylmethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20907581
N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide
CID 138992828

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide (CID 46366168) is 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide is CC1CC(C)CN(CC2CCN(C(=O)Nc3ccc(F)cc3)CC2)C1.
What is the InChIKey of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is PUMGQWDXGSATSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-15-11-16(2)13-23(12-15)14-17-7-9-24(10-8-17)20(25)22-19-5-3-18(21)4-6-19/h3-6,15-17H,7-14H2,1-2H3,(H,22,25).
What are the key properties of 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46366168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).