N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one

C25H38FN3O3 — CID 143229402

IUPACN-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one
SMILESCC1CCCN(c2ccc(N3CCCOC3=O)cc2F)C1.CCN(C=O)C1CCCCC1
InChIInChI=1S/C16H21FN2O2.C9H17NO/c1-12-4-2-7-18(11-12)15-6-5-13(10-14(15)17)19-8-3-9-21-16(19)20;1-2-10(8-11)9-6-4-3-5-7-9/h5-6,10,12H,2-4,7-9,11H2,1H3;8-9H,2-7H2,1H3
InChIKeyCNACSNXZCHIULP-UHFFFAOYSA-N
MW447.60 g/mol
LogP5.21
Rot. Bonds5

About N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one

N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one (PubChem CID 143229402) has the molecular formula C25H38FN3O3 and a molecular weight of 447.60 g/mol. Its IUPAC name is N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound NameN-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one
PubChem CID143229402
Molecular FormulaC25H38FN3O3
Molecular Weight447.60 g/mol
Exact Mass447.29
IUPAC NameN-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one
SMILESCC1CCCN(c2ccc(N3CCCOC3=O)cc2F)C1.CCN(C=O)C1CCCCC1
InChIInChI=1S/C16H21FN2O2.C9H17NO/c1-12-4-2-7-18(11-12)15-6-5-13(10-14(15)17)19-8-3-9-21-16(19)20;1-2-10(8-11)9-6-4-3-5-7-9/h5-6,10,12H,2-4,7-9,11H2,1H3;8-9H,2-7H2,1H3
InChIKeyCNACSNXZCHIULP-UHFFFAOYSA-N
XLogP5.21
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-N-ethylformamide;ethane;methyl N-[4-(3-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]carbamate
CID 143229615
3-[3-fluoro-4-(3-methyl-4-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 140974557
[1-[2-fluoro-4-(2-oxo-1,3-oxazinan-3-yl)phenyl]piperidin-3-yl] 3,7-dimethyl-2-oxa-6-azabicyclo[3.3.1]nonane-6-carboxylate
CID 143520530
5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide
CID 143229493
3-fluoro-4-[(3S)-3-methylpiperidin-1-yl]aniline
CID 28664912
N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine
CID 143229409
3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 142270175
N-cyclohexyl-N-[2-[1-(2,5-difluorophenyl)piperidin-3-yl]ethyl]formamide
CID 143229552
3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 20785452
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-sulfanylformamide
CID 87931203
N-[4-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-fluorophenyl]cyclohexanecarboxamide;methanol
CID 143229655
3-fluoro-4-(3-methylpiperidin-1-yl)benzenecarbothioamide
CID 43657687

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one?
The IUPAC name of N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one (CID 143229402) is N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one.
What is the SMILES notation for N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one?
The canonical SMILES for N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one is CC1CCCN(c2ccc(N3CCCOC3=O)cc2F)C1.CCN(C=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one?
The InChIKey is CNACSNXZCHIULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2.C9H17NO/c1-12-4-2-7-18(11-12)15-6-5-13(10-14(15)17)19-8-3-9-21-16(19)20;1-2-10(8-11)9-6-4-3-5-7-9/h5-6,10,12H,2-4,7-9,11H2,1H3;8-9H,2-7H2,1H3.
What are the key properties of N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one?
N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one has a molecular weight of 447.60 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 143229402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).