N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide

C19H23N3O2 — CID 166373507

IUPACN-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide
SMILESCC(=O)N1CCCC(CN(C)C(=O)c2ccc3cccnc3c2)C1
InChIInChI=1S/C19H23N3O2/c1-14(23)22-10-4-5-15(13-22)12-21(2)19(24)17-8-7-16-6-3-9-20-18(16)11-17/h3,6-9,11,15H,4-5,10,12-13H2,1-2H3
InChIKeyONYIGIPWYBNDSF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.57
Rot. Bonds3

About N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide

N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide (PubChem CID 166373507) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide
PubChem CID166373507
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide
SMILESCC(=O)N1CCCC(CN(C)C(=O)c2ccc3cccnc3c2)C1
InChIInChI=1S/C19H23N3O2/c1-14(23)22-10-4-5-15(13-22)12-21(2)19(24)17-8-7-16-6-3-9-20-18(16)11-17/h3,6-9,11,15H,4-5,10,12-13H2,1-2H3
InChIKeyONYIGIPWYBNDSF-UHFFFAOYSA-N
XLogP2.57
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide
CID 126768243
tert-butyl (3S)-3-[[(2-chloropyridine-3-carbonyl)-methylamino]methyl]piperidine-1-carboxylate
CID 97167251
(4-propylcyclohexyl)-quinolin-7-ylmethanone
CID 81197348
2-methyl-2-pyrrolidin-1-yl-1-quinolin-7-ylpropan-1-one
CID 81220953
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 63373207
[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-quinolin-7-ylmethanone
CID 167959828
1-[3-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]piperidin-1-yl]ethanone
CID 110269115
N,5-dimethyl-N-[[1-(3-methylbut-3-enoyl)piperidin-3-yl]methyl]-1-pyridin-2-ylpyrazole-3-carboxamide
CID 167792698
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide (CID 166373507) is N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide is CC(=O)N1CCCC(CN(C)C(=O)c2ccc3cccnc3c2)C1.
What is the InChIKey of N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide?
The InChIKey is ONYIGIPWYBNDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(23)22-10-4-5-15(13-22)12-21(2)19(24)17-8-7-16-6-3-9-20-18(16)11-17/h3,6-9,11,15H,4-5,10,12-13H2,1-2H3.
What are the key properties of N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide?
N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-3-yl)methyl]-N-methylquinoline-7-carboxamide is sourced from PubChem (CID 166373507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).