N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide

C18H23N3O — CID 136519572

IUPACN-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
SMILESCC(=O)N(C)C1CCN(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C18H23N3O/c1-14(22)20(2)17-7-10-21(11-8-17)13-15-5-6-18-16(12-15)4-3-9-19-18/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3
InChIKeyXODXJSSVHSLMRF-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.68
Rot. Bonds3

About N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide

N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 136519572) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
PubChem CID136519572
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide
SMILESCC(=O)N(C)C1CCN(Cc2ccc3ncccc3c2)CC1
InChIInChI=1S/C18H23N3O/c1-14(22)20(2)17-7-10-21(11-8-17)13-15-5-6-18-16(12-15)4-3-9-19-18/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3
InChIKeyXODXJSSVHSLMRF-UHFFFAOYSA-N
XLogP2.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
3,3-dimethyl-1-(quinolin-6-ylmethyl)piperidin-4-amine
CID 120781427
2-methyl-N-[2-[1-(quinolin-6-ylmethyl)piperidin-4-yl]ethyl]butanamide
CID 166370315
6-[(4-chloro-3-methylpiperidin-1-yl)methyl]quinoline
CID 114682261
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
CID 95829818
[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62062726
N-methyl-N-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-4-yl]acetamide
CID 174748455
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline
CID 82684729
N-methyl-N-[[1-(quinolin-6-ylmethyl)triazol-4-yl]methyl]acetamide
CID 154780881
6-[[4-[(3-bromophenyl)methyl]piperazin-1-yl]methyl]quinoline
CID 171999212
3-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-methyl-1-(quinolin-6-ylmethyl)urea
CID 122563843

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide (CID 136519572) is N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide is CC(=O)N(C)C1CCN(Cc2ccc3ncccc3c2)CC1.
What is the InChIKey of N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is XODXJSSVHSLMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(22)20(2)17-7-10-21(11-8-17)13-15-5-6-18-16(12-15)4-3-9-19-18/h3-6,9,12,17H,7-8,10-11,13H2,1-2H3.
What are the key properties of N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide?
N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(quinolin-6-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 136519572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).