N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide

C21H28FN3O3 — CID 166411288

IUPACN-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)Nc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)C1
InChIInChI=1S/C21H28FN3O3/c1-4-20(26)24-7-5-6-16(13-24)21(27)23-18-8-17(22)9-19(10-18)25-11-14(2)28-15(3)12-25/h4,8-10,14-16H,1,5-7,11-13H2,2-3H3,(H,23,27)/t14-,15+,16?
InChIKeySUWHHWOAHOFIGT-XYPWUTKMSA-N
MW389.47 g/mol
LogP2.80
Rot. Bonds4

About N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide

N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 166411288) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID166411288
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC NameN-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCCC(C(=O)Nc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)C1
InChIInChI=1S/C21H28FN3O3/c1-4-20(26)24-7-5-6-16(13-24)21(27)23-18-8-17(22)9-19(10-18)25-11-14(2)28-15(3)12-25/h4,8-10,14-16H,1,5-7,11-13H2,2-3H3,(H,23,27)/t14-,15+,16?
InChIKeySUWHHWOAHOFIGT-XYPWUTKMSA-N
XLogP2.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide 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-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413075
(3S)-N-(3-fluoro-5-pyrrolidin-1-ylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 52511309
(3S)-N-(1-benzofuran-5-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889920
N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411399
(3R)-1-[(3,5-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120122
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 167833168
N-[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411311
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide
CID 138719004
N-(3,5-difluoro-4-iodophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 60610834
3-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56922913
methyl (3R)-1-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]carbamoyl]piperidine-3-carboxylate
CID 100866593

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide (CID 166411288) is N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCCC(C(=O)Nc2cc(F)cc(N3C[C@@H](C)O[C@@H](C)C3)c2)C1.
What is the InChIKey of N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is SUWHHWOAHOFIGT-XYPWUTKMSA-N. The full InChI is InChI=1S/C21H28FN3O3/c1-4-20(26)24-7-5-6-16(13-24)21(27)23-18-8-17(22)9-19(10-18)25-11-14(2)28-15(3)12-25/h4,8-10,14-16H,1,5-7,11-13H2,2-3H3,(H,23,27)/t14-,15+,16?.
What are the key properties of N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide?
N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 389.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 166411288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).