[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

C22H27NO2 — CID 121479157

IUPAC[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)[C@H]3CN(CC4CC4)CC[C@H]3C)ccc2c1
InChIInChI=1S/C22H27NO2/c1-15-9-10-23(13-16-3-4-16)14-21(15)22(24)19-6-5-18-12-20(25-2)8-7-17(18)11-19/h5-8,11-12,15-16,21H,3-4,9-10,13-14H2,1-2H3/t15-,21+/m1/s1
InChIKeyHZUBEOCLOUFFLQ-VFNWGFHPSA-N
MW337.46 g/mol
LogP4.40
Rot. Bonds5

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

[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (PubChem CID 121479157) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
PubChem CID121479157
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)[C@H]3CN(CC4CC4)CC[C@H]3C)ccc2c1
InChIInChI=1S/C22H27NO2/c1-15-9-10-23(13-16-3-4-16)14-21(15)22(24)19-6-5-18-12-20(25-2)8-7-17(18)11-19/h5-8,11-12,15-16,21H,3-4,9-10,13-14H2,1-2H3/t15-,21+/m1/s1
InChIKeyHZUBEOCLOUFFLQ-VFNWGFHPSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone
CID 121479156
[1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479056
(E)-1-[1-(cyclopropylmethyl)piperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177313915
[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479208
6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile
CID 121479047
[4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 145118733
[(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479204
acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene
CID 145118786
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 26042498
[(3S,4S)-1-cyclobutyl-4-(2-methylpropyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479211
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95142907

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone (CID 121479157) is [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is COc1ccc2cc(C(=O)[C@H]3CN(CC4CC4)CC[C@H]3C)ccc2c1.
What is the InChIKey of [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
The InChIKey is HZUBEOCLOUFFLQ-VFNWGFHPSA-N. The full InChI is InChI=1S/C22H27NO2/c1-15-9-10-23(13-16-3-4-16)14-21(15)22(24)19-6-5-18-12-20(25-2)8-7-17(18)11-19/h5-8,11-12,15-16,21H,3-4,9-10,13-14H2,1-2H3/t15-,21+/m1/s1.
What are the key properties of [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone?
[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone has a molecular weight of 337.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 121479157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).