(1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone

C23H29NO2 — CID 121479288

IUPAC(1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone
SMILESCC(O)c1cc(C(=O)C2CCCN(C3CCCC3)C2)cc2ccccc12
InChIInChI=1S/C23H29NO2/c1-16(25)22-14-19(13-17-7-2-5-11-21(17)22)23(26)18-8-6-12-24(15-18)20-9-3-4-10-20/h2,5,7,11,13-14,16,18,20,25H,3-4,6,8-10,12,15H2,1H3
InChIKeyLNHKBDHVIVGUKO-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.73
Rot. Bonds4

About (1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone

(1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone (PubChem CID 121479288) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone.

Molecular Properties

Compound Name(1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone
PubChem CID121479288
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone
SMILESCC(O)c1cc(C(=O)C2CCCN(C3CCCC3)C2)cc2ccccc12
InChIInChI=1S/C23H29NO2/c1-16(25)22-14-19(13-17-7-2-5-11-21(17)22)23(26)18-8-6-12-24(15-18)20-9-3-4-10-20/h2,5,7,11,13-14,16,18,20,25H,3-4,6,8-10,12,15H2,1H3
InChIKeyLNHKBDHVIVGUKO-UHFFFAOYSA-N
XLogP4.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-hydroxyethyl)naphthalen-2-yl]-(1-methylpiperidin-3-yl)methanone
CID 145118570
(1-cyclobutylpiperidin-3-yl)-[4-(1-hydroxyethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]methanone
CID 138739975
[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone
CID 42357685
[(3R)-1-cyclopentylpiperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 25279925
(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone
CID 145118573
1-[4-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 42347424
[(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane
CID 145118967
(1-cyclopentylpiperidin-3-yl)-(7-ethyl-6,7-dihydronaphthalen-2-yl)methanone
CID 145118852
[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45195996
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 29185356
[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45219197
[(3S)-1-cyclobutylpiperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 25456675

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone?
The IUPAC name of (1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone (CID 121479288) is (1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone.
What is the SMILES notation for (1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone?
The canonical SMILES for (1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone is CC(O)c1cc(C(=O)C2CCCN(C3CCCC3)C2)cc2ccccc12.
What is the InChIKey of (1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone?
The InChIKey is LNHKBDHVIVGUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-16(25)22-14-19(13-17-7-2-5-11-21(17)22)23(26)18-8-6-12-24(15-18)20-9-3-4-10-20/h2,5,7,11,13-14,16,18,20,25H,3-4,6,8-10,12,15H2,1H3.
What are the key properties of (1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone?
(1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone has a molecular weight of 351.49 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentylpiperidin-3-yl)-[4-(1-hydroxyethyl)naphthalen-2-yl]methanone is sourced from PubChem (CID 121479288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).