5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one

C21H29N3O2 — CID 95715011

IUPAC5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)cc1=O
InChIInChI=1S/C21H29N3O2/c1-15(2)16-6-8-17(9-7-16)23-18-5-4-10-24(13-18)14-19-11-20(25)21(26-3)12-22-19/h6-9,11-12,15,18,23H,4-5,10,13-14H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyJGENOFXYTRZIDC-GOSISDBHSA-N
MW355.48 g/mol
LogP3.58
Rot. Bonds6

About 5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one

5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one (PubChem CID 95715011) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one
PubChem CID95715011
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one
SMILESCOc1c[nH]c(CN2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)cc1=O
InChIInChI=1S/C21H29N3O2/c1-15(2)16-6-8-17(9-7-16)23-18-5-4-10-24(13-18)14-19-11-20(25)21(26-3)12-22-19/h6-9,11-12,15,18,23H,4-5,10,13-14H2,1-3H3,(H,22,25)/t18-/m1/s1
InChIKeyJGENOFXYTRZIDC-GOSISDBHSA-N
XLogP3.58
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one with MolForge

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Related Compounds

(3R)-N-(4-propan-2-ylphenyl)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-amine
CID 42194213
2-[[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
CID 95552651
(3S)-N-(4-propan-2-ylphenyl)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 42199390
5-methoxy-2-[[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 124755014
2-[[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
CID 56906119
5-methoxy-2-[[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1H-pyridin-4-one
CID 131934151
5-methoxy-2-[[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methyl]-1H-pyridin-4-one
CID 91843524
(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)piperidin-3-amine
CID 26393246
1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)piperidin-3-amine
CID 45246172
N-(4-propan-2-ylphenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine
CID 45242588
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine
CID 45242776
5-chloro-2-methoxy-4-[[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methyl]phenol
CID 29180657

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one?
The IUPAC name of 5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one (CID 95715011) is 5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one.
What is the SMILES notation for 5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one?
The canonical SMILES for 5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one is COc1c[nH]c(CN2CCC[C@@H](Nc3ccc(C(C)C)cc3)C2)cc1=O.
What is the InChIKey of 5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one?
The InChIKey is JGENOFXYTRZIDC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15(2)16-6-8-17(9-7-16)23-18-5-4-10-24(13-18)14-19-11-20(25)21(26-3)12-22-19/h6-9,11-12,15,18,23H,4-5,10,13-14H2,1-3H3,(H,22,25)/t18-/m1/s1.
What are the key properties of 5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one?
5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one has a molecular weight of 355.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]methyl]-1H-pyridin-4-one is sourced from PubChem (CID 95715011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).