1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one

C18H23N3O3 — CID 56812657

IUPAC1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
SMILESCN(C)C1CCN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC1
InChIInChI=1S/C18H23N3O3/c1-19(2)14-8-11-20(12-9-14)18(23)16-7-6-15(24-16)13-21-10-4-3-5-17(21)22/h3-7,10,14H,8-9,11-13H2,1-2H3
InChIKeyUCUJUMMIZWJLRV-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.66
Rot. Bonds4

About 1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one

1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one (PubChem CID 56812657) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
PubChem CID56812657
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
SMILESCN(C)C1CCN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC1
InChIInChI=1S/C18H23N3O3/c1-19(2)14-8-11-20(12-9-14)18(23)16-7-6-15(24-16)13-21-10-4-3-5-17(21)22/h3-7,10,14H,8-9,11-13H2,1-2H3
InChIKeyUCUJUMMIZWJLRV-UHFFFAOYSA-N
XLogP1.66
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Acetyl 1-(2-furoyl)piperazine
CID 565340
1-(5-Methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 573285
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
N-(1,2,2,6,6-pentamethyl-4-piperidinyl)-2-furamide
CID 723466
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
(5-Bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 2932965
N-[1-(2-fluorobenzyl)-3-piperidinyl]-N,3,5-trimethyl-2-furamide
CID 24817851
N-cycloheptyl-5-methylfuran-2-carboxamide
CID 897030
1,4-Diazabicyclo[3.2.2]nonan-4-yl(furan-2-yl)methanone
CID 10242580
(4-Isopropyl-piperazin-1-yl)-(5-morpholin-4-ylmethylfuran-2-yl)-methanone
CID 11602209
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-furan-2-yl}-methanone
CID 11645244

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The IUPAC name of 1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one (CID 56812657) is 1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one is CN(C)C1CCN(C(=O)c2ccc(Cn3ccccc3=O)o2)CC1.
What is the InChIKey of 1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
The InChIKey is UCUJUMMIZWJLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-19(2)14-8-11-20(12-9-14)18(23)16-7-6-15(24-16)13-21-10-4-3-5-17(21)22/h3-7,10,14H,8-9,11-13H2,1-2H3.
What are the key properties of 1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one?
1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[4-(dimethylamino)piperidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 56812657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).