[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone

C19H23NO2 — CID 27271524

IUPAC[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C19H23NO2/c1-13-7-6-8-14(2)20(13)19(21)17-11-15-9-4-5-10-16(15)12-18(17)22-3/h4-5,9-14H,6-8H2,1-3H3/t13-,14-/m0/s1
InChIKeyNRSOISQGVCWNSL-KBPBESRZSA-N
MW297.40 g/mol
LogP4.25
Rot. Bonds2

About [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone

[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone (PubChem CID 27271524) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
PubChem CID27271524
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1[C@@H](C)CCC[C@@H]1C
InChIInChI=1S/C19H23NO2/c1-13-7-6-8-14(2)20(13)19(21)17-11-15-9-4-5-10-16(15)12-18(17)22-3/h4-5,9-14H,6-8H2,1-3H3/t13-,14-/m0/s1
InChIKeyNRSOISQGVCWNSL-KBPBESRZSA-N
XLogP4.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]-8-methoxychromen-2-one
CID 1070822
3-(2,6-dimethylpiperidine-1-carbonyl)-8-methoxychromen-2-one
CID 3137792
(2-amino-4,5-dimethoxyphenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 16782848
(2-amino-4,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 28689862
(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 26910968
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103715025
N-cyclopentyl-3-methoxy-N-methylnaphthalene-2-carboxamide
CID 30394493
(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 40537881
3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone
CID 9113222
(3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 25161591
CID 101146176
CID 101146176

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
The IUPAC name of [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone (CID 27271524) is [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone is COc1cc2ccccc2cc1C(=O)N1[C@@H](C)CCC[C@@H]1C.
What is the InChIKey of [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
The InChIKey is NRSOISQGVCWNSL-KBPBESRZSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-7-6-8-14(2)20(13)19(21)17-11-15-9-4-5-10-16(15)12-18(17)22-3/h4-5,9-14H,6-8H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone?
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone is sourced from PubChem (CID 27271524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).