[(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

C23H29NO2 — CID 121479204

IUPAC[(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCC[C@H]1CCN(C2CCC2)C[C@H]1C(=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C23H29NO2/c1-3-16-11-12-24(20-5-4-6-20)15-22(16)23(25)19-8-7-18-14-21(26-2)10-9-17(18)13-19/h7-10,13-14,16,20,22H,3-6,11-12,15H2,1-2H3/t16-,22+/m0/s1
InChIKeyKRJIEWMVCKZTHR-KSFYIVLOSA-N
MW351.49 g/mol
LogP4.93
Rot. Bonds5

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

[(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 121479204) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is [(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
PubChem CID121479204
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name[(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCC[C@H]1CCN(C2CCC2)C[C@H]1C(=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C23H29NO2/c1-3-16-11-12-24(20-5-4-6-20)15-22(16)23(25)19-8-7-18-14-21(26-2)10-9-17(18)13-19/h7-10,13-14,16,20,22H,3-6,11-12,15H2,1-2H3/t16-,22+/m0/s1
InChIKeyKRJIEWMVCKZTHR-KSFYIVLOSA-N
XLogP4.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479208
[(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
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
2-[6-[(3S,4S)-1-cyclobutyl-4-methylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479197
[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479157
(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 172914172
(2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114973789
[(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane
CID 145118967
2-[6-[(3R,4R)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propan-2-ylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3R,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4R)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;2-[6-[(3S,4S)-1-cyclobutyl-4-propylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 160722757

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (CID 121479204) is [(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is CC[C@H]1CCN(C2CCC2)C[C@H]1C(=O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of [(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is KRJIEWMVCKZTHR-KSFYIVLOSA-N. The full InChI is InChI=1S/C23H29NO2/c1-3-16-11-12-24(20-5-4-6-20)15-22(16)23(25)19-8-7-18-14-21(26-2)10-9-17(18)13-19/h7-10,13-14,16,20,22H,3-6,11-12,15H2,1-2H3/t16-,22+/m0/s1.
What are the key properties of [(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
[(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 351.49 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 121479204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).