N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide

C22H27N3O2 — CID 67311221

IUPACN-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCC[C@@H](N)C2)c1
InChIInChI=1S/C22H27N3O2/c1-15(26)24-18-8-4-9-19(13-18)27-22-20-10-3-2-6-16(20)12-21(22)25-11-5-7-17(23)14-25/h2-4,6,8-10,13,17,21-22H,5,7,11-12,14,23H2,1H3,(H,24,26)/t17-,21+,22+/m1/s1
InChIKeyNRCOFKRFGMGSLO-WTNAPCKOSA-N
MW365.48 g/mol
LogP3.11
Rot. Bonds4

About N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide

N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide (PubChem CID 67311221) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
PubChem CID67311221
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCC[C@@H](N)C2)c1
InChIInChI=1S/C22H27N3O2/c1-15(26)24-18-8-4-9-19(13-18)27-22-20-10-3-2-6-16(20)12-21(22)25-11-5-7-17(23)14-25/h2-4,6,8-10,13,17,21-22H,5,7,11-12,14,23H2,1H3,(H,24,26)/t17-,21+,22+/m1/s1
InChIKeyNRCOFKRFGMGSLO-WTNAPCKOSA-N
XLogP3.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The IUPAC name of N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide (CID 67311221) is N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide is CC(=O)Nc1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCC[C@@H](N)C2)c1.
What is the InChIKey of N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
The InChIKey is NRCOFKRFGMGSLO-WTNAPCKOSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(26)24-18-8-4-9-19(13-18)27-22-20-10-3-2-6-16(20)12-21(22)25-11-5-7-17(23)14-25/h2-4,6,8-10,13,17,21-22H,5,7,11-12,14,23H2,1H3,(H,24,26)/t17-,21+,22+/m1/s1.
What are the key properties of N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide?
N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 67311221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).