N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide

C21H28N2OS — CID 25458195

IUPACN-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESCSCCCN1CCC[C@H](CNC(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C21H28N2OS/c1-25-14-6-13-23-12-5-7-17(16-23)15-22-21(24)20-11-4-9-18-8-2-3-10-19(18)20/h2-4,8-11,17H,5-7,12-16H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeySPGWLDVWFSTDRC-QGZVFWFLSA-N
MW356.53 g/mol
LogP4.03
Rot. Bonds7

About N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide

N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide (PubChem CID 25458195) has the molecular formula C21H28N2OS and a molecular weight of 356.53 g/mol. Its IUPAC name is N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
PubChem CID25458195
Molecular FormulaC21H28N2OS
Molecular Weight356.53 g/mol
Exact Mass356.19
IUPAC NameN-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
SMILESCSCCCN1CCC[C@H](CNC(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C21H28N2OS/c1-25-14-6-13-23-12-5-7-17(16-23)15-22-21(24)20-11-4-9-18-8-2-3-10-19(18)20/h2-4,8-11,17H,5-7,12-16H2,1H3,(H,22,24)/t17-/m1/s1
InChIKeySPGWLDVWFSTDRC-QGZVFWFLSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
CID 42285901
N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97282563
N-[[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45190230
N-[[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97272246
N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 42216008
2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
N-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45219081
1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42401799
N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 26320170
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
2,3-dimethoxy-N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]methyl]benzamide
CID 25303260
N-[[1-(4-methylsulfanylbutyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 103089534

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide (CID 25458195) is N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide is CSCCCN1CCC[C@H](CNC(=O)c2cccc3ccccc23)C1.
What is the InChIKey of N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide?
The InChIKey is SPGWLDVWFSTDRC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-25-14-6-13-23-12-5-7-17(16-23)15-22-21(24)20-11-4-9-18-8-2-3-10-19(18)20/h2-4,8-11,17H,5-7,12-16H2,1H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide?
N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide has a molecular weight of 356.53 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 25458195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).