2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide

C24H30N2O3 — CID 4135042

IUPAC2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC1CCCN(C(C(=O)Nc2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C24H30N2O3/c1-16(2)18-6-9-20(10-7-18)25-24(27)23(26-12-4-5-17(3)14-26)19-8-11-21-22(13-19)29-15-28-21/h6-11,13,16-17,23H,4-5,12,14-15H2,1-3H3,(H,25,27)
InChIKeyXAQKOFTZMLYQIU-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.95
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 4135042) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID4135042
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC1CCCN(C(C(=O)Nc2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C24H30N2O3/c1-16(2)18-6-9-20(10-7-18)25-24(27)23(26-12-4-5-17(3)14-26)19-8-11-21-22(13-19)29-15-28-21/h6-11,13,16-17,23H,4-5,12,14-15H2,1-3H3,(H,25,27)
InChIKeyXAQKOFTZMLYQIU-UHFFFAOYSA-N
XLogP4.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)acetamide
CID 4134863
(2S)-N-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 51673367
1-[1,3-benzodioxol-5-yl-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 4011675
2-(3,5-dimethylpiperidin-1-yl)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 4130031
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
(3S)-1-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304678
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 6598333
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 2419129
1-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpropan-2-one
CID 116860043
methyl 2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylacetate
CID 116860526
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 11939355
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4825469

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 4135042) is 2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is CC1CCCN(C(C(=O)Nc2ccc(C(C)C)cc2)c2ccc3c(c2)OCO3)C1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is XAQKOFTZMLYQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-16(2)18-6-9-20(10-7-18)25-24(27)23(26-12-4-5-17(3)14-26)19-8-11-21-22(13-19)29-15-28-21/h6-11,13,16-17,23H,4-5,12,14-15H2,1-3H3,(H,25,27).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 394.52 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 4135042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).