N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide

C28H27N3O2 — CID 45170651

IUPACN-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2nc(CN3CCCC(C(=O)c4cccc5ccccc45)C3)ccc12
InChIInChI=1S/C28H27N3O2/c1-19(32)29-26-12-5-13-27-25(26)15-14-22(30-27)18-31-16-6-9-21(17-31)28(33)24-11-4-8-20-7-2-3-10-23(20)24/h2-5,7-8,10-15,21H,6,9,16-18H2,1H3,(H,29,32)
InChIKeyGLEBXLIPGUDYLD-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.44
Rot. Bonds5

About N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide

N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide (PubChem CID 45170651) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
PubChem CID45170651
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC NameN-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2nc(CN3CCCC(C(=O)c4cccc5ccccc45)C3)ccc12
InChIInChI=1S/C28H27N3O2/c1-19(32)29-26-12-5-13-27-25(26)15-14-22(30-27)18-31-16-6-9-21(17-31)28(33)24-11-4-8-20-7-2-3-10-23(20)24/h2-5,7-8,10-15,21H,6,9,16-18H2,1H3,(H,29,32)
InChIKeyGLEBXLIPGUDYLD-UHFFFAOYSA-N
XLogP5.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 42565190
(2,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45245905
[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-naphthalen-1-ylmethanone
CID 45220644
N-[2-[[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide
CID 26405184
(3,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45203336
[(3S)-1-cyclobutylpiperidin-3-yl]-naphthalen-1-ylmethanone
CID 42357685
ethyl 4-[[(3S)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate
CID 25286557
3-methyl-1-[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]but-2-en-1-one
CID 25372306
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 43919580
1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 11317629
naphthalen-1-yl-[(3R)-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-3-yl]methanone
CID 25477877

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide?
The IUPAC name of N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide (CID 45170651) is N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide.
What is the SMILES notation for N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide?
The canonical SMILES for N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide is CC(=O)Nc1cccc2nc(CN3CCCC(C(=O)c4cccc5ccccc45)C3)ccc12.
What is the InChIKey of N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide?
The InChIKey is GLEBXLIPGUDYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-19(32)29-26-12-5-13-27-25(26)15-14-22(30-27)18-31-16-6-9-21(17-31)28(33)24-11-4-8-20-7-2-3-10-23(20)24/h2-5,7-8,10-15,21H,6,9,16-18H2,1H3,(H,29,32).
What are the key properties of N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide?
N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide has a molecular weight of 437.54 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]quinolin-5-yl]acetamide is sourced from PubChem (CID 45170651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).