N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C18H26N2O — CID 107127311

IUPACN-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC1(CNC(=O)C2CCc3ccccc3C2)CCCNC1
InChIInChI=1S/C18H26N2O/c1-18(9-4-10-19-12-18)13-20-17(21)16-8-7-14-5-2-3-6-15(14)11-16/h2-3,5-6,16,19H,4,7-13H2,1H3,(H,20,21)
InChIKeyWNUBYIHQJRHTKZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.30
Rot. Bonds3

About N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107127311) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107127311
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC1(CNC(=O)C2CCc3ccccc3C2)CCCNC1
InChIInChI=1S/C18H26N2O/c1-18(9-4-10-19-12-18)13-20-17(21)16-8-7-14-5-2-3-6-15(14)11-16/h2-3,5-6,16,19H,4,7-13H2,1H3,(H,20,21)
InChIKeyWNUBYIHQJRHTKZ-UHFFFAOYSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-((4-((3-Aminopropyl)amino)butyl)amino)propyl)-1-naphthaleneacetamide
CID 129695
N-(cyanomethyl)-4-methyl-2-{3-[4-(piperidin-4-yl)phenyl]phenyl}pentanamide
CID 18628693
N-[[(3R)-1-(cyclohexylmethyl)piperidin-3-yl]methyl]-6-(3,3,3-triphenylpropanoylamino)hexanamide
CID 11767229
3-(4-methylphenyl)-N-propan-2-yladamantane-1-carboxamide
CID 2882129
N-(2,3-Dihydro-1H-phenalen-1-ylmethyl)-butyramide
CID 44353165
cis-(1R,2S)-N-(cyanomethyl)-2-[(Z)-2-phenylethenyl]cyclohexane-1-carboxamide
CID 44406951
N-[[(1R,2R)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]propanamide
CID 137637541
N-[[(1S,2R)-1-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]propanamide
CID 137648419
N-allyl-2,2-bis(4-methylphenyl)cyclopropanecarboxamide
CID 2884775
2-phenyl-N-(2-phenylethyl)butanamide
CID 2905215
2-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 2924317
2-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 6464276

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107127311) is N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC1(CNC(=O)C2CCc3ccccc3C2)CCCNC1.
What is the InChIKey of N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is WNUBYIHQJRHTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(9-4-10-19-12-18)13-20-17(21)16-8-7-14-5-2-3-6-15(14)11-16/h2-3,5-6,16,19H,4,7-13H2,1H3,(H,20,21).
What are the key properties of N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107127311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).