1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid

C18H23NO3 — CID 124698143

IUPAC1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid
SMILESC[C@]1(C(=O)N2CCC(C(=O)O)CC2)CCCc2ccccc21
InChIInChI=1S/C18H23NO3/c1-18(10-4-6-13-5-2-3-7-15(13)18)17(22)19-11-8-14(9-12-19)16(20)21/h2-3,5,7,14H,4,6,8-12H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyJHFFAIWCGDIOOX-SFHVURJKSA-N
MW301.39 g/mol
LogP2.60
Rot. Bonds2

About 1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid

1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid (PubChem CID 124698143) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid
PubChem CID124698143
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid
SMILESC[C@]1(C(=O)N2CCC(C(=O)O)CC2)CCCc2ccccc21
InChIInChI=1S/C18H23NO3/c1-18(10-4-6-13-5-2-3-7-15(13)18)17(22)19-11-8-14(9-12-19)16(20)21/h2-3,5,7,14H,4,6,8-12H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyJHFFAIWCGDIOOX-SFHVURJKSA-N
XLogP2.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxypiperidin-1-yl)-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 110921317
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 119621878
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 120657959
6-[1-(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one
CID 86886257
1-methyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-naphthalene-1-carboxamide
CID 119449830
1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid
CID 124702036
4-[(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methylamino]cyclohexane-1-carboxylic acid
CID 122032364
1-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 72871808
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
1-[1-(dimethylamino)-2,3-dihydroindene-1-carbonyl]-N-ethylpiperidine-4-carboxamide
CID 75370579
1-[2-[methyl(1,2,3,4-tetrahydronaphthalene-1-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236130

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid (CID 124698143) is 1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid is C[C@]1(C(=O)N2CCC(C(=O)O)CC2)CCCc2ccccc21.
What is the InChIKey of 1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is JHFFAIWCGDIOOX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23NO3/c1-18(10-4-6-13-5-2-3-7-15(13)18)17(22)19-11-8-14(9-12-19)16(20)21/h2-3,5,7,14H,4,6,8-12H2,1H3,(H,20,21)/t18-/m0/s1.
What are the key properties of 1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid?
1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 124698143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).