3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

C20H31N3O3 — CID 25381997

IUPAC3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C20H31N3O3/c1-16(24)22-19-6-3-18(4-7-19)15-23-12-9-17(10-13-23)5-8-20(25)21-11-14-26-2/h3-4,6-7,17H,5,8-15H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyJXIGNGRUAVXTEG-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.40
Rot. Bonds9

About 3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 25381997) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID25381997
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C20H31N3O3/c1-16(24)22-19-6-3-18(4-7-19)15-23-12-9-17(10-13-23)5-8-20(25)21-11-14-26-2/h3-4,6-7,17H,5,8-15H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyJXIGNGRUAVXTEG-UHFFFAOYSA-N
XLogP2.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
CID 42532364
3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 56704613
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
(3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95093800
N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide
CID 45216292
N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide
CID 26394300
3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 42513054
N-(2-methoxyethyl)-3-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]propanamide
CID 23723475
N-(2-methoxyethyl)-3-[1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]propanamide
CID 42557895
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363
N-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 46089334
N-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine
CID 62591709

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (CID 25381997) is 3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCC1CCN(Cc2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of 3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is JXIGNGRUAVXTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-16(24)22-19-6-3-18(4-7-19)15-23-12-9-17(10-13-23)5-8-20(25)21-11-14-26-2/h3-4,6-7,17H,5,8-15H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 361.49 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 25381997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).