2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide

C22H26ClN3O2 — CID 58393446

IUPAC2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1O[C@H]1c2ccccc2CC[C@@H]1N1CCC[C@H](N)C1
InChIInChI=1S/C22H26ClN3O2/c23-15-8-10-20(18(12-15)22(25)27)28-21-17-6-2-1-4-14(17)7-9-19(21)26-11-3-5-16(24)13-26/h1-2,4,6,8,10,12,16,19,21H,3,5,7,9,11,13,24H2,(H2,25,27)/t16-,19-,21-/m0/s1
InChIKeyCWACGMRUVXXWOK-LRQRDZAKSA-N
MW399.92 g/mol
LogP3.30
Rot. Bonds4

About 2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide

2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide (PubChem CID 58393446) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide
PubChem CID58393446
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1O[C@H]1c2ccccc2CC[C@@H]1N1CCC[C@H](N)C1
InChIInChI=1S/C22H26ClN3O2/c23-15-8-10-20(18(12-15)22(25)27)28-21-17-6-2-1-4-14(17)7-9-19(21)26-11-3-5-16(24)13-26/h1-2,4,6,8,10,12,16,19,21H,3,5,7,9,11,13,24H2,(H2,25,27)/t16-,19-,21-/m0/s1
InChIKeyCWACGMRUVXXWOK-LRQRDZAKSA-N
XLogP3.30
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide?
The IUPAC name of 2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide (CID 58393446) is 2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide.
What is the SMILES notation for 2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide?
The canonical SMILES for 2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide is NC(=O)c1cc(Cl)ccc1O[C@H]1c2ccccc2CC[C@@H]1N1CCC[C@H](N)C1.
What is the InChIKey of 2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide?
The InChIKey is CWACGMRUVXXWOK-LRQRDZAKSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c23-15-8-10-20(18(12-15)22(25)27)28-21-17-6-2-1-4-14(17)7-9-19(21)26-11-3-5-16(24)13-26/h1-2,4,6,8,10,12,16,19,21H,3,5,7,9,11,13,24H2,(H2,25,27)/t16-,19-,21-/m0/s1.
What are the key properties of 2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide?
2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide has a molecular weight of 399.92 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2S)-2-[(3S)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]-5-chlorobenzamide is sourced from PubChem (CID 58393446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).