1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone

C17H26N2O2 — CID 124574868

IUPAC1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
SMILESCN[C@H]1CCCN(C(=O)Cc2ccccc2OC(C)C)C1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-16-9-5-4-7-14(16)11-17(20)19-10-6-8-15(12-19)18-3/h4-5,7,9,13,15,18H,6,8,10-12H2,1-3H3/t15-/m0/s1
InChIKeyFQQIHHXSBSKFES-HNNXBMFYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds5

About 1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone

1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone (PubChem CID 124574868) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
PubChem CID124574868
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
SMILESCN[C@H]1CCCN(C(=O)Cc2ccccc2OC(C)C)C1
InChIInChI=1S/C17H26N2O2/c1-13(2)21-16-9-5-4-7-14(16)11-17(20)19-10-6-8-15(12-19)18-3/h4-5,7,9,13,15,18H,6,8,10-12H2,1-3H3/t15-/m0/s1
InChIKeyFQQIHHXSBSKFES-HNNXBMFYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 80740895
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 119934244
2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 83749694
(3S)-4-(2-methoxyphenyl)-3-methyl-1-[(3S)-3-(methylamino)piperidin-1-yl]butan-1-one
CID 124574688
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 124611306
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 95314197
2-(2-propan-2-yloxyphenyl)-1-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736686
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
3-(2-ethoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490352
(2R)-1-[2-(2-propan-2-yloxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371810
1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
CID 119491030
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone (CID 124574868) is 1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone is CN[C@H]1CCCN(C(=O)Cc2ccccc2OC(C)C)C1.
What is the InChIKey of 1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone?
The InChIKey is FQQIHHXSBSKFES-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)21-16-9-5-4-7-14(16)11-17(20)19-10-6-8-15(12-19)18-3/h4-5,7,9,13,15,18H,6,8,10-12H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone?
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 124574868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).