N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide

C17H26FN3O — CID 60547395

IUPACN-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCCN(C)c1ccccc1F
InChIInChI=1S/C17H26FN3O/c1-14-8-5-6-13-21(14)17(22)19-11-7-12-20(2)16-10-4-3-9-15(16)18/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H,19,22)
InChIKeyOSBCAVATELIOLE-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.24
Rot. Bonds5

About N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide

N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide (PubChem CID 60547395) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide
PubChem CID60547395
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC NameN-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)NCCCN(C)c1ccccc1F
InChIInChI=1S/C17H26FN3O/c1-14-8-5-6-13-21(14)17(22)19-11-7-12-20(2)16-10-4-3-9-15(16)18/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H,19,22)
InChIKeyOSBCAVATELIOLE-UHFFFAOYSA-N
XLogP3.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-fluoro-N-methylanilino)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428035
1-cyclopentyl-3-[3-(2-fluoro-N-methylanilino)propyl]urea
CID 60544274
N-cyclopentyl-N'-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 55071126
(2R)-N-(2-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 40611905
N-[3-(2-fluoro-N-methylanilino)propyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71939165
(2S)-N-[3-(2-fluoro-N-methylanilino)propyl]-5-oxopyrrolidine-2-carboxamide
CID 94866111
3-amino-N-[3-(2-fluoro-N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119861519
4-fluoro-N-[3-(2-fluoro-N-methylanilino)propyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55908423
4-(cyclopropanecarbonylamino)-N-[3-(2-fluoro-N-methylanilino)propyl]benzamide
CID 55907767
N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide
CID 48964058
5-methyl-N-[4-(N-methylanilino)butyl]-1,4-oxazepane-4-carboxamide
CID 84596201
N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55908681

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide (CID 60547395) is N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide is CC1CCCCN1C(=O)NCCCN(C)c1ccccc1F.
What is the InChIKey of N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide?
The InChIKey is OSBCAVATELIOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-14-8-5-6-13-21(14)17(22)19-11-7-12-20(2)16-10-4-3-9-15(16)18/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H,19,22).
What are the key properties of N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide?
N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide has a molecular weight of 307.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluoro-N-methylanilino)propyl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 60547395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).