(2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid

C19H23NO3 — CID 122124651

IUPAC(2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc2cc(CN3CCC[C@H](C(=O)O)[C@@H]3C)ccc2c1
InChIInChI=1S/C19H23NO3/c1-13-18(19(21)22)4-3-9-20(13)12-14-5-6-16-11-17(23-2)8-7-15(16)10-14/h5-8,10-11,13,18H,3-4,9,12H2,1-2H3,(H,21,22)/t13-,18-/m0/s1
InChIKeyQEPGHMDHLYDWHO-UGSOOPFHSA-N
MW313.40 g/mol
LogP3.53
Rot. Bonds4

About (2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid

(2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid (PubChem CID 122124651) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid
PubChem CID122124651
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc2cc(CN3CCC[C@H](C(=O)O)[C@@H]3C)ccc2c1
InChIInChI=1S/C19H23NO3/c1-13-18(19(21)22)4-3-9-20(13)12-14-5-6-16-11-17(23-2)8-7-15(16)10-14/h5-8,10-11,13,18H,3-4,9,12H2,1-2H3,(H,21,22)/t13-,18-/m0/s1
InChIKeyQEPGHMDHLYDWHO-UGSOOPFHSA-N
XLogP3.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-(1-benzofuran-5-ylmethyl)-2-methylpiperidine-3-carboxylic acid
CID 122125043
(2S,3S)-1-[(3-butoxy-4-methoxyphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124655
(2S,3S)-1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124642
(2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 122124688
(2R,3R)-1-[(3-bromo-4-methylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124911
(2R,3R)-1-[(4-tert-butylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124631
1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79370835
(2R,3R)-1-[(4-cyclopropylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122125097
(2S,3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 167949979
1-[1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115315996
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
(2R,3R)-1-[[3-(cyclohexylmethoxy)phenyl]methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124794

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid (CID 122124651) is (2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid is COc1ccc2cc(CN3CCC[C@H](C(=O)O)[C@@H]3C)ccc2c1.
What is the InChIKey of (2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid?
The InChIKey is QEPGHMDHLYDWHO-UGSOOPFHSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-18(19(21)22)4-3-9-20(13)12-14-5-6-16-11-17(23-2)8-7-15(16)10-14/h5-8,10-11,13,18H,3-4,9,12H2,1-2H3,(H,21,22)/t13-,18-/m0/s1.
What are the key properties of (2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid?
(2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid has a molecular weight of 313.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122124651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).