2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide

C24H27FN2O3 — CID 131662490

IUPAC2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CC2(CCN(C(=O)c3ccc(C)c(F)c3)CC2)Oc2ccccc21
InChIInChI=1S/C24H27FN2O3/c1-16-7-8-17(13-20(16)25)23(29)27-11-9-24(10-12-27)15-18(14-22(28)26-2)19-5-3-4-6-21(19)30-24/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,26,28)
InChIKeyHRRGKPNLKWIOLM-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.81
Rot. Bonds3

About 2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide

2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide (PubChem CID 131662490) has the molecular formula C24H27FN2O3 and a molecular weight of 410.49 g/mol. Its IUPAC name is 2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
PubChem CID131662490
Molecular FormulaC24H27FN2O3
Molecular Weight410.49 g/mol
Exact Mass410.20
IUPAC Name2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CC2(CCN(C(=O)c3ccc(C)c(F)c3)CC2)Oc2ccccc21
InChIInChI=1S/C24H27FN2O3/c1-16-7-8-17(13-20(16)25)23(29)27-11-9-24(10-12-27)15-18(14-22(28)26-2)19-5-3-4-6-21(19)30-24/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,26,28)
InChIKeyHRRGKPNLKWIOLM-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide 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-methyl-2-[1'-(2-methylfuran-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131662944
2-[1'-(furan-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 131659016
N-methyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 155847775
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 97376409
N-propan-2-yl-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131646412
N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376457
N-methyl-2-[1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131652450
N-cyclopropyl-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131644974
N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131638325
N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131663503
N-cyclopropyl-2-[1'-(furan-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131654273
N-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131645417

Frequently Asked Questions

What is the IUPAC name of 2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide (CID 131662490) is 2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide is CNC(=O)CC1CC2(CCN(C(=O)c3ccc(C)c(F)c3)CC2)Oc2ccccc21.
What is the InChIKey of 2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide?
The InChIKey is HRRGKPNLKWIOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O3/c1-16-7-8-17(13-20(16)25)23(29)27-11-9-24(10-12-27)15-18(14-22(28)26-2)19-5-3-4-6-21(19)30-24/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,26,28).
What are the key properties of 2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide?
2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide has a molecular weight of 410.49 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide is sourced from PubChem (CID 131662490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).