2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide

C27H27N3O — CID 92772448

IUPAC2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide
SMILESC[C@@H]1CCCN(c2cc(C(=O)NCc3cccc4ccccc34)c3ccccc3n2)C1
InChIInChI=1S/C27H27N3O/c1-19-8-7-15-30(18-19)26-16-24(23-13-4-5-14-25(23)29-26)27(31)28-17-21-11-6-10-20-9-2-3-12-22(20)21/h2-6,9-14,16,19H,7-8,15,17-18H2,1H3,(H,28,31)/t19-/m1/s1
InChIKeyCBTXMGNRJCAYKU-LJQANCHMSA-N
MW409.53 g/mol
LogP5.55
Rot. Bonds4

About 2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide

2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide (PubChem CID 92772448) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide
PubChem CID92772448
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide
SMILESC[C@@H]1CCCN(c2cc(C(=O)NCc3cccc4ccccc34)c3ccccc3n2)C1
InChIInChI=1S/C27H27N3O/c1-19-8-7-15-30(18-19)26-16-24(23-13-4-5-14-25(23)29-26)27(31)28-17-21-11-6-10-20-9-2-3-12-22(20)21/h2-6,9-14,16,19H,7-8,15,17-18H2,1H3,(H,28,31)/t19-/m1/s1
InChIKeyCBTXMGNRJCAYKU-LJQANCHMSA-N
XLogP5.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090941
N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide
CID 98638684
N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090939
N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090943
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide
CID 129423269
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline
CID 61257807
N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 91232917
6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109327489
4-[(3R)-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylquinoline
CID 124896109
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
6-[(3-chlorobenzoyl)amino]-2-[(3R)-3-methylpiperidin-1-yl]quinoline-4-carboxylic acid
CID 92870043
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-fluorophenyl)methyl]quinoline-4-carboxamide
CID 46091069

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide (CID 92772448) is 2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide is C[C@@H]1CCCN(c2cc(C(=O)NCc3cccc4ccccc34)c3ccccc3n2)C1.
What is the InChIKey of 2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide?
The InChIKey is CBTXMGNRJCAYKU-LJQANCHMSA-N. The full InChI is InChI=1S/C27H27N3O/c1-19-8-7-15-30(18-19)26-16-24(23-13-4-5-14-25(23)29-26)27(31)28-17-21-11-6-10-20-9-2-3-12-22(20)21/h2-6,9-14,16,19H,7-8,15,17-18H2,1H3,(H,28,31)/t19-/m1/s1.
What are the key properties of 2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide?
2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 92772448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).