N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

C24H32N2O3S — CID 97376493

IUPACN-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCOCCNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)s3)CC2)Oc2ccccc21
InChIInChI=1S/C24H32N2O3S/c1-18-7-8-20(30-18)17-26-12-9-24(10-13-26)16-19(15-23(27)25-11-14-28-2)21-5-3-4-6-22(21)29-24/h3-8,19H,9-17H2,1-2H3,(H,25,27)/t19-/m1/s1
InChIKeyOYOHSGQVBPMILC-LJQANCHMSA-N
MW428.60 g/mol
LogP4.11
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 97376493) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
PubChem CID97376493
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC NameN-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCOCCNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)s3)CC2)Oc2ccccc21
InChIInChI=1S/C24H32N2O3S/c1-18-7-8-20(30-18)17-26-12-9-24(10-13-26)16-19(15-23(27)25-11-14-28-2)21-5-3-4-6-22(21)29-24/h3-8,19H,9-17H2,1-2H3,(H,25,27)/t19-/m1/s1
InChIKeyOYOHSGQVBPMILC-LJQANCHMSA-N
XLogP4.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376217
N-(2-methoxyethyl)-2-[(4R)-1'-[(5-methylfuran-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376490
N-methyl-2-[1'-(1,3-thiazol-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131663503
N-propan-2-yl-2-[1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131643795
N-propan-2-yl-2-[(4S)-1'-(thiophen-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376426
N-methyl-2-[1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131652450
2-[(4R)-1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 97376409
N-(2-methylpropyl)-2-[(4S)-1'-(pyridin-4-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376645
N-(cyclopropylmethyl)-2-[(4S)-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376222
N-(cyclopropylmethyl)-2-[(4R)-1'-[(1-methylpyrazol-4-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376210
2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-(2-methylpropyl)acetamide
CID 131640150
N-(cyclopropylmethyl)-2-[(4R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376225

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 97376493) is N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is COCCNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)s3)CC2)Oc2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The InChIKey is OYOHSGQVBPMILC-LJQANCHMSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-18-7-8-20(30-18)17-26-12-9-24(10-13-26)16-19(15-23(27)25-11-14-28-2)21-5-3-4-6-22(21)29-24/h3-8,19H,9-17H2,1-2H3,(H,25,27)/t19-/m1/s1.
What are the key properties of N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 428.60 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(4S)-1'-[(5-methylthiophen-2-yl)methyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 97376493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).