N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide

C19H27F2N3O2 — CID 52534442

IUPACN'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide
SMILESCCN(C(=O)C(=O)NCCCN1CCC[C@@H](C)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H27F2N3O2/c1-3-24(15-7-8-16(20)17(21)12-15)19(26)18(25)22-9-5-11-23-10-4-6-14(2)13-23/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyNWCHUSHVCONLNN-CQSZACIVSA-N
MW367.44 g/mol
LogP2.56
Rot. Bonds6

About N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide

N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide (PubChem CID 52534442) has the molecular formula C19H27F2N3O2 and a molecular weight of 367.44 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide
PubChem CID52534442
Molecular FormulaC19H27F2N3O2
Molecular Weight367.44 g/mol
Exact Mass367.21
IUPAC NameN'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide
SMILESCCN(C(=O)C(=O)NCCCN1CCC[C@@H](C)C1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H27F2N3O2/c1-3-24(15-7-8-16(20)17(21)12-15)19(26)18(25)22-9-5-11-23-10-4-6-14(2)13-23/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyNWCHUSHVCONLNN-CQSZACIVSA-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'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide
CID 47645635
N'-(3,4-difluorophenyl)-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]butyl]-N'-methyloxamide
CID 95145560
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720
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
1-(2,6-difluorophenyl)-3-[3-[(3S)-3-methylpiperidin-1-yl]propyl]thiourea
CID 100739285
N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide
CID 86827115
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
4-[benzenesulfonyl(ethyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 132672969
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 92888526

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide?
The IUPAC name of N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide (CID 52534442) is N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide is CCN(C(=O)C(=O)NCCCN1CCC[C@@H](C)C1)c1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide?
The InChIKey is NWCHUSHVCONLNN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27F2N3O2/c1-3-24(15-7-8-16(20)17(21)12-15)19(26)18(25)22-9-5-11-23-10-4-6-14(2)13-23/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,22,25)/t14-/m1/s1.
What are the key properties of N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide?
N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]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'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide is sourced from PubChem (CID 52534442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).