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

C27H34N2O3 — CID 131638325

IUPACN,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCCN(CC)C(=O)CC1CC2(CCN(C(=O)c3ccccc3C)CC2)Oc2ccccc21
InChIInChI=1S/C27H34N2O3/c1-4-28(5-2)25(30)18-21-19-27(32-24-13-9-8-12-23(21)24)14-16-29(17-15-27)26(31)22-11-7-6-10-20(22)3/h6-13,21H,4-5,14-19H2,1-3H3
InChIKeyZMEZVOYSEIIVCK-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.79
Rot. Bonds5

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

N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 131638325) has the molecular formula C27H34N2O3 and a molecular weight of 434.58 g/mol. Its IUPAC name is N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
PubChem CID131638325
Molecular FormulaC27H34N2O3
Molecular Weight434.58 g/mol
Exact Mass434.26
IUPAC NameN,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCCN(CC)C(=O)CC1CC2(CCN(C(=O)c3ccccc3C)CC2)Oc2ccccc21
InChIInChI=1S/C27H34N2O3/c1-4-28(5-2)25(30)18-21-19-27(32-24-13-9-8-12-23(21)24)14-16-29(17-15-27)26(31)22-11-7-6-10-20(22)3/h6-13,21H,4-5,14-19H2,1-3H3
InChIKeyZMEZVOYSEIIVCK-UHFFFAOYSA-N
XLogP4.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide 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,N-diethyl-2-[(4S)-1'-(2-methoxyacetyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376617
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-diethylacetamide
CID 97376614
N,N-diethyl-2-[(4R)-1'-(oxane-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376622
N,N-diethyl-2-[(4S)-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376595
N,N-diethyl-2-[(4R)-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376596
N-methyl-2-[1'-(2-methylfuran-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131662944
tert-butyl (4S)-4-(2-ethoxy-2-oxoethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 86334777
N,N-diethyl-2-[1'-(2-methylfuran-3-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 131644637
2-[(4S)-1'-ethylsulfonylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N,N-dimethylacetamide
CID 97376317
N,N-diethyl-2-[1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155825351
ethyl (4S)-4-aminospiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 142509556
2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetic acid
CID 134077279

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 131638325) is N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is CCN(CC)C(=O)CC1CC2(CCN(C(=O)c3ccccc3C)CC2)Oc2ccccc21.
What is the InChIKey of N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The InChIKey is ZMEZVOYSEIIVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O3/c1-4-28(5-2)25(30)18-21-19-27(32-24-13-9-8-12-23(21)24)14-16-29(17-15-27)26(31)22-11-7-6-10-20(22)3/h6-13,21H,4-5,14-19H2,1-3H3.
What are the key properties of N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 434.58 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1'-(2-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 131638325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).