[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C21H26N2O2 — CID 35870224

IUPAC[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2c(O)ccc3ccccc23)CC1)N1CCCC1
InChIInChI=1S/C21H26N2O2/c24-20-8-7-16-5-1-2-6-18(16)19(20)15-22-13-9-17(10-14-22)21(25)23-11-3-4-12-23/h1-2,5-8,17,24H,3-4,9-15H2
InChIKeyOJGHMULLIJSLNX-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.38
Rot. Bonds3

About [1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 35870224) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID35870224
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(Cc2c(O)ccc3ccccc23)CC1)N1CCCC1
InChIInChI=1S/C21H26N2O2/c24-20-8-7-16-5-1-2-6-18(16)19(20)15-22-13-9-17(10-14-22)21(25)23-11-3-4-12-23/h1-2,5-8,17,24H,3-4,9-15H2
InChIKeyOJGHMULLIJSLNX-UHFFFAOYSA-N
XLogP3.38
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol
CID 136522765
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 44828315
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 37158782
[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 26026735
1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol
CID 115299972
1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol
CID 61297189
cyclobutyl-[4-(naphthalen-1-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 171329068
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 31252685
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
1-[[4-[2-hydroxy-3-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 23878911
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108

Frequently Asked Questions

What is the IUPAC name of [1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 35870224) is [1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(Cc2c(O)ccc3ccccc23)CC1)N1CCCC1.
What is the InChIKey of [1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OJGHMULLIJSLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-20-8-7-16-5-1-2-6-18(16)19(20)15-22-13-9-17(10-14-22)21(25)23-11-3-4-12-23/h1-2,5-8,17,24H,3-4,9-15H2.
What are the key properties of [1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 338.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 35870224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).