2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one

C20H28N2O3 — CID 119622024

IUPAC2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(=O)c1cccc(OC(C)C(=O)N2CCC(NCC3CC3)CC2)c1
InChIInChI=1S/C20H28N2O3/c1-14(23)17-4-3-5-19(12-17)25-15(2)20(24)22-10-8-18(9-11-22)21-13-16-6-7-16/h3-5,12,15-16,18,21H,6-11,13H2,1-2H3
InChIKeySCPUVAIEOWNJMJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.65
Rot. Bonds7

About 2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one

2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one (PubChem CID 119622024) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
PubChem CID119622024
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one
SMILESCC(=O)c1cccc(OC(C)C(=O)N2CCC(NCC3CC3)CC2)c1
InChIInChI=1S/C20H28N2O3/c1-14(23)17-4-3-5-19(12-17)25-15(2)20(24)22-10-8-18(9-11-22)21-13-16-6-7-16/h3-5,12,15-16,18,21H,6-11,13H2,1-2H3
InChIKeySCPUVAIEOWNJMJ-UHFFFAOYSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119622835
[4-(cyclopropylmethylamino)piperidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone;hydrochloride
CID 119622263
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[(3-methoxyphenyl)methoxy]propan-1-one;hydrochloride
CID 119623387
2-(3-acetylphenoxy)-1-[4-(3-aminopropoxy)piperidin-1-yl]propan-1-one;hydrochloride
CID 119661893
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenoxy)propan-1-one
CID 119644184
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120817481
2-(3-bromophenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 119562871
2-(2-chloro-4-fluorophenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119625550
2-(3-acetylphenoxy)-1-[2-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119631303
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one
CID 119621964
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxypropan-1-one
CID 119624807
(2R)-1-[(4aR,8aR)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-(3-acetylphenoxy)propan-1-one
CID 97062969

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one (CID 119622024) is 2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one is CC(=O)c1cccc(OC(C)C(=O)N2CCC(NCC3CC3)CC2)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is SCPUVAIEOWNJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14(23)17-4-3-5-19(12-17)25-15(2)20(24)22-10-8-18(9-11-22)21-13-16-6-7-16/h3-5,12,15-16,18,21H,6-11,13H2,1-2H3.
What are the key properties of 2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one?
2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 344.46 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119622024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).