2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide

C20H30N2O3 — CID 110892663

IUPAC2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CC(O)COC2CCCc3ccccc32)CC1
InChIInChI=1S/C20H30N2O3/c21-20(24)12-15-8-10-22(11-9-15)13-17(23)14-25-19-7-3-5-16-4-1-2-6-18(16)19/h1-2,4,6,15,17,19,23H,3,5,7-14H2,(H2,21,24)
InChIKeyYBBLQTGXIXNPNZ-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.03
Rot. Bonds7

About 2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide

2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide (PubChem CID 110892663) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide
PubChem CID110892663
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CC(O)COC2CCCc3ccccc32)CC1
InChIInChI=1S/C20H30N2O3/c21-20(24)12-15-8-10-22(11-9-15)13-17(23)14-25-19-7-3-5-16-4-1-2-6-18(16)19/h1-2,4,6,15,17,19,23H,3,5,7-14H2,(H2,21,24)
InChIKeyYBBLQTGXIXNPNZ-UHFFFAOYSA-N
XLogP2.03
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-methylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 2121484
1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110887836
(2S)-1-[(2S)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrrolidine-2-carboxamide
CID 124784992
(2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95348112
1-[4-[4-[(2R)-2-hydroxy-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperazin-1-yl]phenyl]ethanone
CID 7775106
ethyl (3R)-1-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]piperidine-3-carboxylate
CID 124721520
1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-2-ol
CID 17491350
(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95173175
5-[4-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 166195527
3-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 26012304
(2R)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 97157254
(2S)-1-(4-pyrrol-1-ylpyrazol-1-yl)-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 99696620

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide (CID 110892663) is 2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(CC(O)COC2CCCc3ccccc32)CC1.
What is the InChIKey of 2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide?
The InChIKey is YBBLQTGXIXNPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c21-20(24)12-15-8-10-22(11-9-15)13-17(23)14-25-19-7-3-5-16-4-1-2-6-18(16)19/h1-2,4,6,15,17,19,23H,3,5,7-14H2,(H2,21,24).
What are the key properties of 2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide?
2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 110892663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).