N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide

C14H20FN3O — CID 79159528

IUPACN-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(F)c(CN)c2)C1
InChIInChI=1S/C14H20FN3O/c1-10-3-2-6-18(9-10)14(19)17-12-4-5-13(15)11(7-12)8-16/h4-5,7,10H,2-3,6,8-9,16H2,1H3,(H,17,19)
InChIKeyRTKZDFMOHFDUTK-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.55
Rot. Bonds2

About N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide

N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide (PubChem CID 79159528) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide
PubChem CID79159528
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(F)c(CN)c2)C1
InChIInChI=1S/C14H20FN3O/c1-10-3-2-6-18(9-10)14(19)17-12-4-5-13(15)11(7-12)8-16/h4-5,7,10H,2-3,6,8-9,16H2,1H3,(H,17,19)
InChIKeyRTKZDFMOHFDUTK-UHFFFAOYSA-N
XLogP2.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
N-(3-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335785
N-(3,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109049038
3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide
CID 86799909
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
(3S)-3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 38150508
3-methyl-N-(3-sulfamoylphenyl)piperidine-1-carboxamide
CID 47185999

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide (CID 79159528) is N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2ccc(F)c(CN)c2)C1.
What is the InChIKey of N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is RTKZDFMOHFDUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-10-3-2-6-18(9-10)14(19)17-12-4-5-13(15)11(7-12)8-16/h4-5,7,10H,2-3,6,8-9,16H2,1H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide?
N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 265.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-4-fluorophenyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79159528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).