N'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide

C19H27F2N3O2 — CID 47645635

IUPACN'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide
SMILESCC1CCCN(CCCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H27F2N3O2/c1-14-6-5-11-24(13-14)10-4-3-9-22-18(25)19(26)23(2)15-7-8-16(20)17(21)12-15/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,22,25)
InChIKeyHBEXKXHADJWLAY-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.56
Rot. Bonds6

About N'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide

N'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide (PubChem CID 47645635) has the molecular formula C19H27F2N3O2 and a molecular weight of 367.44 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide
PubChem CID47645635
Molecular FormulaC19H27F2N3O2
Molecular Weight367.44 g/mol
Exact Mass367.21
IUPAC NameN'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide
SMILESCC1CCCN(CCCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C19H27F2N3O2/c1-14-6-5-11-24(13-14)10-4-3-9-22-18(25)19(26)23(2)15-7-8-16(20)17(21)12-15/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,22,25)
InChIKeyHBEXKXHADJWLAY-UHFFFAOYSA-N
XLogP2.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,4-difluorophenyl)-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]butyl]-N'-methyloxamide
CID 95145560
N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide
CID 52534442
N'-(3,4-difluorophenyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N'-methyloxamide
CID 47645078
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111901846
1-(3-chloro-4-fluorophenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]thiourea
CID 133216819
1-(3-chloro-4-fluorophenyl)-3-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiourea
CID 100739204
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
N-[4-(3-methylpiperidin-1-yl)butyl]-1H-pyrazole-5-carboxamide
CID 56818106
1-(2,6-difluorophenyl)-3-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiourea
CID 100739285

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide?
The IUPAC name of N'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide (CID 47645635) is N'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide is CC1CCCN(CCCCNC(=O)C(=O)N(C)c2ccc(F)c(F)c2)C1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide?
The InChIKey is HBEXKXHADJWLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O2/c1-14-6-5-11-24(13-14)10-4-3-9-22-18(25)19(26)23(2)15-7-8-16(20)17(21)12-15/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,22,25).
What are the key properties of N'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide?
N'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide has a molecular weight of 367.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide is sourced from PubChem (CID 47645635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).