N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

C26H33N3O3 — CID 97376657

IUPACN-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCc1cccc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)NCC(C)C)c2ccccc2O3)n1
InChIInChI=1S/C26H33N3O3/c1-18(2)17-27-24(30)15-20-16-26(32-23-10-5-4-8-21(20)23)11-13-29(14-12-26)25(31)22-9-6-7-19(3)28-22/h4-10,18,20H,11-17H2,1-3H3,(H,27,30)/t20-/m0/s1
InChIKeyUAEBAICUNKNPIO-FQEVSTJZSA-N
MW435.57 g/mol
LogP4.09
Rot. Bonds5

About N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide

N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (PubChem CID 97376657) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
PubChem CID97376657
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
SMILESCc1cccc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)NCC(C)C)c2ccccc2O3)n1
InChIInChI=1S/C26H33N3O3/c1-18(2)17-27-24(30)15-20-16-26(32-23-10-5-4-8-21(20)23)11-13-29(14-12-26)25(31)22-9-6-7-19(3)28-22/h4-10,18,20H,11-17H2,1-3H3,(H,27,30)/t20-/m0/s1
InChIKeyUAEBAICUNKNPIO-FQEVSTJZSA-N
XLogP4.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[(4R)-1'-(pyrazine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376654
2-[1'-(cyclopropylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-(2-methylpropyl)acetamide
CID 131640150
N-(2-methylpropyl)-2-[(4S)-1'-(pyridin-4-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376645
N-propan-2-yl-2-[1'-(pyridine-4-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131646412
N-cyclopropyl-2-[(1R)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97376126
N-propan-2-yl-2-[(4R)-1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376457
N-cyclobutyl-2-[(1S)-1'-(6-methylpyridine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375907
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-(cyclopropylmethyl)-2-[1'-(pyridine-3-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131645417
2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 131662490
N-cyclopropyl-2-[1'-(furan-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 131654273

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide (CID 97376657) is N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](CC(=O)NCC(C)C)c2ccccc2O3)n1.
What is the InChIKey of N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
The InChIKey is UAEBAICUNKNPIO-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-18(2)17-27-24(30)15-20-16-26(32-23-10-5-4-8-21(20)23)11-13-29(14-12-26)25(31)22-9-6-7-19(3)28-22/h4-10,18,20H,11-17H2,1-3H3,(H,27,30)/t20-/m0/s1.
What are the key properties of N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide?
N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide has a molecular weight of 435.57 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(4R)-1'-(6-methylpyridine-2-carbonyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide is sourced from PubChem (CID 97376657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).