N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide

C19H26N2O3 — CID 37469462

IUPACN-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCC(=O)c1ccccc1OCCN1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C19H26N2O3/c1-14(22)17-4-2-3-5-18(17)24-13-12-21-10-8-16(9-11-21)20-19(23)15-6-7-15/h2-5,15-16H,6-13H2,1H3,(H,20,23)
InChIKeySCNPSBQQJSETAA-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.26
Rot. Bonds7

About N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 37469462) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID37469462
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCC(=O)c1ccccc1OCCN1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C19H26N2O3/c1-14(22)17-4-2-3-5-18(17)24-13-12-21-10-8-16(9-11-21)20-19(23)15-6-7-15/h2-5,15-16H,6-13H2,1H3,(H,20,23)
InChIKeySCNPSBQQJSETAA-UHFFFAOYSA-N
XLogP2.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(cyclohexanecarbonylamino)piperidin-1-yl]ethoxy]benzoic acid
CID 126785814
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone
CID 104976918
2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683751
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555092
2-[2-(3-anilinopyrrolidin-1-yl)ethoxy]benzoic acid
CID 167821181

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide (CID 37469462) is N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide is CC(=O)c1ccccc1OCCN1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is SCNPSBQQJSETAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14(22)17-4-2-3-5-18(17)24-13-12-21-10-8-16(9-11-21)20-19(23)15-6-7-15/h2-5,15-16H,6-13H2,1H3,(H,20,23).
What are the key properties of N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-acetylphenoxy)ethyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 37469462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).