3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide

C29H30N4O3 — CID 60609141

IUPAC3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
SMILESCN(C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C29H30N4O3/c1-31(24-13-17-32(18-14-24)16-12-23-9-4-5-15-30-23)27(34)22-8-6-7-21(19-22)20-33-28(35)25-10-2-3-11-26(25)29(33)36/h2-11,15,19,24H,12-14,16-18,20H2,1H3
InChIKeyJDZPTHIQRDDSKG-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.66
Rot. Bonds7

About 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide (PubChem CID 60609141) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
PubChem CID60609141
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
SMILESCN(C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)C1CCN(CCc2ccccn2)CC1
InChIInChI=1S/C29H30N4O3/c1-31(24-13-17-32(18-14-24)16-12-23-9-4-5-15-30-23)27(34)22-8-6-7-21(19-22)20-33-28(35)25-10-2-3-11-26(25)29(33)36/h2-11,15,19,24H,12-14,16-18,20H2,1H3
InChIKeyJDZPTHIQRDDSKG-UHFFFAOYSA-N
XLogP3.66
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide;dihydrochloride
CID 119868605
N-methyl-4-oxo-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1H-pyridine-2-carboxamide
CID 138025288
N-methyl-4-nitro-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide
CID 60609216
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414396
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]but-2-ynamide
CID 146091210
N-benzyl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 171910751
4-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]butanamide
CID 119868618
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119868586
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119868585
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
(5R)-3-[(3-fluorophenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124862563
N-cyclohexyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-methylbenzamide
CID 27670598

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide (CID 60609141) is 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide is CN(C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1)C1CCN(CCc2ccccn2)CC1.
What is the InChIKey of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide?
The InChIKey is JDZPTHIQRDDSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-31(24-13-17-32(18-14-24)16-12-23-9-4-5-15-30-23)27(34)22-8-6-7-21(19-22)20-33-28(35)25-10-2-3-11-26(25)29(33)36/h2-11,15,19,24H,12-14,16-18,20H2,1H3.
What are the key properties of 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide?
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide has a molecular weight of 482.58 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dioxoisoindol-2-yl)methyl]-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 60609141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).