N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide

C23H29N3O2 — CID 58394230

IUPACN-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(O[C@H]2c3ccccc3CC[C@@H]2N2CCC[C@@H](N)C2)c1
InChIInChI=1S/C23H29N3O2/c1-16(27)25-19-8-4-9-20(14-19)28-23-21-10-3-2-6-17(21)11-12-22(23)26-13-5-7-18(24)15-26/h2-4,6,8-10,14,18,22-23H,5,7,11-13,15,24H2,1H3,(H,25,27)/t18-,22+,23+/m1/s1
InChIKeyQCXKECQAMMCSRC-LEOXJPRUSA-N
MW379.50 g/mol
LogP3.50
Rot. Bonds4

About N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide

N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide (PubChem CID 58394230) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide
PubChem CID58394230
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(O[C@H]2c3ccccc3CC[C@@H]2N2CCC[C@@H](N)C2)c1
InChIInChI=1S/C23H29N3O2/c1-16(27)25-19-8-4-9-20(14-19)28-23-21-10-3-2-6-17(21)11-12-22(23)26-13-5-7-18(24)15-26/h2-4,6,8-10,14,18,22-23H,5,7,11-13,15,24H2,1H3,(H,25,27)/t18-,22+,23+/m1/s1
InChIKeyQCXKECQAMMCSRC-LEOXJPRUSA-N
XLogP3.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.50
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]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide?
The IUPAC name of N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide (CID 58394230) is N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide is CC(=O)Nc1cccc(O[C@H]2c3ccccc3CC[C@@H]2N2CCC[C@@H](N)C2)c1.
What is the InChIKey of N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide?
The InChIKey is QCXKECQAMMCSRC-LEOXJPRUSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16(27)25-19-8-4-9-20(14-19)28-23-21-10-3-2-6-17(21)11-12-22(23)26-13-5-7-18(24)15-26/h2-4,6,8-10,14,18,22-23H,5,7,11-13,15,24H2,1H3,(H,25,27)/t18-,22+,23+/m1/s1.
What are the key properties of N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide?
N-[3-[[(1S,2S)-2-[(3R)-3-aminopiperidin-1-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.50, 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]-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 58394230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).