4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide

C19H28N2O3 — CID 95979549

IUPAC4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide
SMILESCC(=O)c1cccc(OCCCC(=O)NC[C@@H]2CCCN(C)C2)c1
InChIInChI=1S/C19H28N2O3/c1-15(22)17-7-3-8-18(12-17)24-11-5-9-19(23)20-13-16-6-4-10-21(2)14-16/h3,7-8,12,16H,4-6,9-11,13-14H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeySPENEFMSQOTJNW-INIZCTEOSA-N
MW332.44 g/mol
LogP2.51
Rot. Bonds8

About 4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide

4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide (PubChem CID 95979549) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide
PubChem CID95979549
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide
SMILESCC(=O)c1cccc(OCCCC(=O)NC[C@@H]2CCCN(C)C2)c1
InChIInChI=1S/C19H28N2O3/c1-15(22)17-7-3-8-18(12-17)24-11-5-9-19(23)20-13-16-6-4-10-21(2)14-16/h3,7-8,12,16H,4-6,9-11,13-14H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeySPENEFMSQOTJNW-INIZCTEOSA-N
XLogP2.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-acetylphenoxy)-N-[(1-ethylpiperidin-4-yl)methyl]butanamide
CID 51099911
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
CID 95209551
4-(3-acetylphenoxy)-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119492322
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
4-(3-acetylphenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119647391
2-(3-acetylphenoxy)-N-(piperidin-3-ylmethyl)acetamide
CID 119463561
1-[3-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2994155
4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960
2-(3-methoxyphenyl)sulfanyl-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 56783989
2-(3-methoxyphenyl)sulfanyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95617068
2-(3-methoxyphenyl)sulfanyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95617067
N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
CID 65419155

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide?
The IUPAC name of 4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide (CID 95979549) is 4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide.
What is the SMILES notation for 4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide?
The canonical SMILES for 4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide is CC(=O)c1cccc(OCCCC(=O)NC[C@@H]2CCCN(C)C2)c1.
What is the InChIKey of 4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide?
The InChIKey is SPENEFMSQOTJNW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15(22)17-7-3-8-18(12-17)24-11-5-9-19(23)20-13-16-6-4-10-21(2)14-16/h3,7-8,12,16H,4-6,9-11,13-14H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide?
4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide has a molecular weight of 332.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetylphenoxy)-N-[[(3S)-1-methylpiperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 95979549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).