[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

C22H27NO2 — CID 121479208

IUPAC[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCC[C@@H]1CCN(C2CC2)C[C@@H]1C(=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C22H27NO2/c1-3-15-10-11-23(19-7-8-19)14-21(15)22(24)18-5-4-17-13-20(25-2)9-6-16(17)12-18/h4-6,9,12-13,15,19,21H,3,7-8,10-11,14H2,1-2H3/t15-,21+/m1/s1
InChIKeyLPQLRBYLZATPNL-VFNWGFHPSA-N
MW337.46 g/mol
LogP4.54
Rot. Bonds5

About [(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 121479208) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
PubChem CID121479208
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCC[C@@H]1CCN(C2CC2)C[C@@H]1C(=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C22H27NO2/c1-3-15-10-11-23(19-7-8-19)14-21(15)22(24)18-5-4-17-13-20(25-2)9-6-16(17)12-18/h4-6,9,12-13,15,19,21H,3,7-8,10-11,14H2,1-2H3/t15-,21+/m1/s1
InChIKeyLPQLRBYLZATPNL-VFNWGFHPSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479204
[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479211
[(3S,4S)-1-cyclobutyl-4-phenylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479259
acetylene;[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-cyclobutylpiperidine;6-methoxynaphthalene-2-carbaldehyde;2-methylpropane;propane
CID 145118679
[4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 145118733
[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479157
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
(6-methoxynaphthalen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477818
2-[6-[(3S,4S)-1-cyclobutyl-4-methylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479197
(2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114973789
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
(E)-1-[1-(4-ethoxycyclohexyl)piperidin-3-yl]-N-(methoxymethyl)-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177314104

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (CID 121479208) is [(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is CC[C@@H]1CCN(C2CC2)C[C@@H]1C(=O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of [(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is LPQLRBYLZATPNL-VFNWGFHPSA-N. The full InChI is InChI=1S/C22H27NO2/c1-3-15-10-11-23(19-7-8-19)14-21(15)22(24)18-5-4-17-13-20(25-2)9-6-16(17)12-18/h4-6,9,12-13,15,19,21H,3,7-8,10-11,14H2,1-2H3/t15-,21+/m1/s1.
What are the key properties of [(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 337.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 121479208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).