2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone

C17H26N2O2 — CID 63241143

IUPAC2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC(C)NCC1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-14(2)18-11-15-7-6-10-19(12-15)17(20)13-21-16-8-4-3-5-9-16/h3-5,8-9,14-15,18H,6-7,10-13H2,1-2H3
InChIKeyMMNPLTHZRVOJRU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.30
Rot. Bonds6

About 2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone

2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone (PubChem CID 63241143) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
PubChem CID63241143
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
SMILESCC(C)NCC1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-14(2)18-11-15-7-6-10-19(12-15)17(20)13-21-16-8-4-3-5-9-16/h3-5,8-9,14-15,18H,6-7,10-13H2,1-2H3
InChIKeyMMNPLTHZRVOJRU-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(bromomethyl)piperidin-1-yl]-2-phenoxyethanone
CID 80661274
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
3-phenyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241645
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-[3-[(4-chlorophenoxy)methyl]piperidin-1-yl]-2-phenoxyethanone
CID 110638734
1-[3-(methylaminomethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119394761
3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119347944
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241729
1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119543096
2-cyclopentyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241290
4-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
CID 119396958
1-(3-aminopiperidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 119380301

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone (CID 63241143) is 2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone is CC(C)NCC1CCCN(C(=O)COc2ccccc2)C1.
What is the InChIKey of 2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
The InChIKey is MMNPLTHZRVOJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)18-11-15-7-6-10-19(12-15)17(20)13-21-16-8-4-3-5-9-16/h3-5,8-9,14-15,18H,6-7,10-13H2,1-2H3.
What are the key properties of 2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone?
2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 63241143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).