3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide

C21H25N3O2 — CID 76775087

IUPAC3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide
SMILESNC(=O)c1cccc(OC2c3ccccc3CC2N2CCCC(N)C2)c1
InChIInChI=1S/C21H25N3O2/c22-16-7-4-10-24(13-16)19-12-14-5-1-2-9-18(14)20(19)26-17-8-3-6-15(11-17)21(23)25/h1-3,5-6,8-9,11,16,19-20H,4,7,10,12-13,22H2,(H2,23,25)
InChIKeyBWTJCWGZFGDCLV-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.25
Rot. Bonds4

About 3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide

3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide (PubChem CID 76775087) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide.

Molecular Properties

Compound Name3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide
PubChem CID76775087
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide
SMILESNC(=O)c1cccc(OC2c3ccccc3CC2N2CCCC(N)C2)c1
InChIInChI=1S/C21H25N3O2/c22-16-7-4-10-24(13-16)19-12-14-5-1-2-9-18(14)20(19)26-17-8-3-6-15(11-17)21(23)25/h1-3,5-6,8-9,11,16,19-20H,4,7,10,12-13,22H2,(H2,23,25)
InChIKeyBWTJCWGZFGDCLV-UHFFFAOYSA-N
XLogP2.25
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1R,2S)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]benzonitrile
CID 167993650
N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide
CID 58394230
3-[[(2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]oxy]benzamide
CID 143950712
(3R)-1-[(1S,2R)-1-(4-fluoro-2-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 67398110
1-[(1R,2R)-1-(1H-indol-6-yloxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-amine
CID 58394158
2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide
CID 58393446
1-fluoropropane;3-methyl-1-[(1S)-1-(3-methylphenoxy)-2,3-dihydro-1H-inden-2-yl]piperidine;propan-2-one
CID 143950706
(3R)-1-[(1R,2R)-4,6-dichloro-1-phenoxy-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 58393865
(3R)-1-[(1R,2R)-1-[3-methyl-2-[(Z)-prop-1-enyl]phenoxy]-2,3-dihydro-1H-inden-2-yl]piperidin-3-amine
CID 89091258
(3S)-1-[(1S,2S)-1-(4-fluorophenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393518
(3R)-1-[(1S,2S)-1-(4-methylsulfanylphenoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-3-amine
CID 58393687
5-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-1,3-benzoxathiol-2-one
CID 58393825

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide?
The IUPAC name of 3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide (CID 76775087) is 3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide.
What is the SMILES notation for 3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide?
The canonical SMILES for 3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide is NC(=O)c1cccc(OC2c3ccccc3CC2N2CCCC(N)C2)c1.
What is the InChIKey of 3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide?
The InChIKey is BWTJCWGZFGDCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-16-7-4-10-24(13-16)19-12-14-5-1-2-9-18(14)20(19)26-17-8-3-6-15(11-17)21(23)25/h1-3,5-6,8-9,11,16,19-20H,4,7,10,12-13,22H2,(H2,23,25).
What are the key properties of 3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide?
3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-aminopiperidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]benzamide is sourced from PubChem (CID 76775087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).