1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one

C18H23N3O3 — CID 119597097

IUPAC1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
SMILESCC1CCCN(C(=O)c2ccc(Cn3ccccc3=O)o2)C1CN
InChIInChI=1S/C18H23N3O3/c1-13-5-4-10-21(15(13)11-19)18(23)16-8-7-14(24-16)12-20-9-3-2-6-17(20)22/h2-3,6-9,13,15H,4-5,10-12,19H2,1H3
InChIKeyATIMYLRTDCUYHH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.69
Rot. Bonds4

About 1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one

1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one (PubChem CID 119597097) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
PubChem CID119597097
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
SMILESCC1CCCN(C(=O)c2ccc(Cn3ccccc3=O)o2)C1CN
InChIInChI=1S/C18H23N3O3/c1-13-5-4-10-21(15(13)11-19)18(23)16-8-7-14(24-16)12-20-9-3-2-6-17(20)22/h2-3,6-9,13,15H,4-5,10-12,19H2,1H3
InChIKeyATIMYLRTDCUYHH-UHFFFAOYSA-N
XLogP1.69
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 71899552
(3S)-1-[5-[(2-oxo-1-pyridinyl)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 124703095
1-[[5-[(3S,5S)-3,5-dimethylpiperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 124589659
1-[[5-[(2S,5R)-2-ethyl-5-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 97256064
1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 96513043
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-bromophenyl)methanone
CID 95357666
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 102738213
1-[[5-[(4aR,8aR)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 98793331
1-[[5-[(4aR,8aS)-1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 97082289
1-[[5-(aminomethyl)furan-2-yl]methyl]pyridin-2-one
CID 82506623
N-benzyl-N-cyclopropyl-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
CID 38253946
1-[[5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 134024817

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one (CID 119597097) is 1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one is CC1CCCN(C(=O)c2ccc(Cn3ccccc3=O)o2)C1CN.
What is the InChIKey of 1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The InChIKey is ATIMYLRTDCUYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-5-4-10-21(15(13)11-19)18(23)16-8-7-14(24-16)12-20-9-3-2-6-17(20)22/h2-3,6-9,13,15H,4-5,10-12,19H2,1H3.
What are the key properties of 1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 119597097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).