1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one

C18H27N3O3 — CID 172656509

IUPAC1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one
SMILESCc1ccn(C2CC2)c(=O)c1C(=O)N1CCCC(O)(CN(C)C)C1
InChIInChI=1S/C18H27N3O3/c1-13-7-10-21(14-5-6-14)17(23)15(13)16(22)20-9-4-8-18(24,12-20)11-19(2)3/h7,10,14,24H,4-6,8-9,11-12H2,1-3H3
InChIKeyDRUYZUYRCZNSHD-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.02
Rot. Bonds4

About 1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one

1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one (PubChem CID 172656509) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one
PubChem CID172656509
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one
SMILESCc1ccn(C2CC2)c(=O)c1C(=O)N1CCCC(O)(CN(C)C)C1
InChIInChI=1S/C18H27N3O3/c1-13-7-10-21(14-5-6-14)17(23)15(13)16(22)20-9-4-8-18(24,12-20)11-19(2)3/h7,10,14,24H,4-6,8-9,11-12H2,1-3H3
InChIKeyDRUYZUYRCZNSHD-UHFFFAOYSA-N
XLogP1.02
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-4-methyl-3-(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-carbonyl)pyridin-2-one
CID 172660310
1-(4-hydroxycyclohexyl)-3-[3-hydroxy-3-(2-methylphenyl)pyrrolidine-1-carbonyl]-4-methylpyridin-2-one
CID 172657464
1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172661366
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170512055
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56914584
1-(4-hydroxycyclohexyl)-4-methyl-3-(4-pyridin-3-yloxypiperidine-1-carbonyl)pyridin-2-one
CID 172659827
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1,2-dimethylindol-3-yl)methanone
CID 124996348
4-methyl-3-[4-(2-oxo-1H-pyridin-4-yl)piperidine-1-carbonyl]-1-piperidin-4-ylpyridin-2-one
CID 172664056
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 124989028
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 127248010
4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one
CID 172658297
1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one
CID 172670130

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one (CID 172656509) is 1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one is Cc1ccn(C2CC2)c(=O)c1C(=O)N1CCCC(O)(CN(C)C)C1.
What is the InChIKey of 1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one?
The InChIKey is DRUYZUYRCZNSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-7-10-21(14-5-6-14)17(23)15(13)16(22)20-9-4-8-18(24,12-20)11-19(2)3/h7,10,14,24H,4-6,8-9,11-12H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one?
1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one has a molecular weight of 333.43 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]-4-methylpyridin-2-one is sourced from PubChem (CID 172656509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).