2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide

C19H28N2O2 — CID 124749478

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
SMILESO=C(CC1Cc2ccccc2C1)NCCN1CCCC[C@H]1CO
InChIInChI=1S/C19H28N2O2/c22-14-18-7-3-4-9-21(18)10-8-20-19(23)13-15-11-16-5-1-2-6-17(16)12-15/h1-2,5-6,15,18,22H,3-4,7-14H2,(H,20,23)/t18-/m0/s1
InChIKeyAQEHDFXIJIBLGV-SFHVURJKSA-N
MW316.44 g/mol
LogP1.75
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide

2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide (PubChem CID 124749478) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
PubChem CID124749478
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
SMILESO=C(CC1Cc2ccccc2C1)NCCN1CCCC[C@H]1CO
InChIInChI=1S/C19H28N2O2/c22-14-18-7-3-4-9-21(18)10-8-20-19(23)13-15-11-16-5-1-2-6-17(16)12-15/h1-2,5-6,15,18,22H,3-4,7-14H2,(H,20,23)/t18-/m0/s1
InChIKeyAQEHDFXIJIBLGV-SFHVURJKSA-N
XLogP1.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-N'-(2-propan-2-ylphenyl)butanediamide
CID 46995136
N-butyl-2-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 125481439
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide
CID 126453906
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 60685168
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 131917065
3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]propanoic acid
CID 131943947
1-(2,3-dihydroindol-1-yl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 110888130
1-(3-chloro-2-fluorophenyl)-3-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]urea
CID 118774897
2-[4-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]phenyl]-N-methylacetamide
CID 125171086
1-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(6-phenoxy-3-pyridinyl)urea
CID 97454834
2-chloro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 131920436
4-(4,6-dimethylpyrimidin-2-yl)-N-[2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethyl]benzamide
CID 126442623

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide (CID 124749478) is 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide is O=C(CC1Cc2ccccc2C1)NCCN1CCCC[C@H]1CO.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is AQEHDFXIJIBLGV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-14-18-7-3-4-9-21(18)10-8-20-19(23)13-15-11-16-5-1-2-6-17(16)12-15/h1-2,5-6,15,18,22H,3-4,7-14H2,(H,20,23)/t18-/m0/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide?
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 316.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 124749478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).